Results for:
chemical Classification: imines

2-[(E)-[3-(N,2-dimethylanilino)-1-benzofuran-2-yl]iminomethyl]phenol

Compound Details

Synonymous names
NZYSJSDKUCJACV-BUVRLJJBSA-N
2-((E)-([3-(2-Dimethylanilino)-1-benzofuran-2-yl]imino)methyl)phenol #
Microorganism:

Yes

IUPAC name2-[(E)-[3-(N,2-dimethylanilino)-1-benzofuran-2-yl]iminomethyl]phenol
SMILESCC1=CC=CC=C1N(C)C2=C(OC3=CC=CC=C32)N=CC4=CC=CC=C4O
InchiInChI=1S/C23H20N2O2/c1-16-9-3-6-12-19(16)25(2)22-18-11-5-8-14-21(18)27-23(22)24-15-17-10-4-7-13-20(17)26/h3-15,26H,1-2H3/b24-15+
FormulaC23H20N2O2
PubChem ID135822622
Molweight356.4
LogP5.6
Atoms27
Bonds4
H-bond Acceptor4
H-bond Donor1
Chemical Classificationimines amines aromatic compounds benzenoids furan derivatives heterocyclic compounds ethers nitrogen compounds phenols

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


3-methyl-N-(3-methylbutyl)butan-1-imine

Compound Details

Synonymous names
1-Butanamine, 3-methyl-N-(3-methylbutylidene)-
35448-31-8
3-methyl-N-(3-methylbutyl)butan-1-imine
isopentylideneisopentylamine
ISOPENTYLIDENE ISOPENTYLAMINE
3-methyl-n-(3-methylbutylidene)-1-butanamine
N-(3-Methylbutylidene)-3-methyl-1-butylamine
QID90Z5HCR
N-isoamylidene-isoamylamine
3-Methyl-N-(3'-methylbutylidene)butanamine
3-Methyl-N-(3-methylbutylidene)-butanamine
Butanamine, 3-methyl-N-(3-methylbutylidene)
3-Methyl-N-[(E)-3-methylbutylidene]-1-butanamine
UNII-QID90Z5HCR
N-Isopentylideneisopentylamine
isopentylidene isopentyl amine
SCHEMBL891625
DTXSID5067922
FEMA NO. 3990
WYNULUURQZBBSK-YRNVUSSQSA-N
3-methylbutylidene-3-methylbutylamine
AKOS006274245
ISOPENTYLIDENE ISOPENTYLAMINE [FHFI]
NS00126518
(3-METHYLBUTYL)(3-METHYLBUTYLIDENE)AMINE
Q27287279
Microorganism:

Yes

IUPAC name3-methyl-N-(3-methylbutyl)butan-1-imine
SMILESCC(C)CCN=CCC(C)C
InchiInChI=1S/C10H21N/c1-9(2)5-7-11-8-6-10(3)4/h7,9-10H,5-6,8H2,1-4H3
FormulaC10H21N
PubChem ID118823
Molweight155.28
LogP2.8
Atoms11
Bonds5
H-bond Acceptor1
H-bond Donor0
Chemical Classificationimines nitrogen compounds
Supernatural-IDSN0423475

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Popillaen/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaBacillus Popillaen/aNADickschat et al. 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Popillaen/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano


6-tert-butyl-2,3,4,5-tetrahydropyridine

Compound Details

Synonymous names
6-tert-Butyl-2,3,4,5-tetrahydropyridine
90949-17-0
2-tert-Butyl-3,4,5,6-tetrahydropyridine
SCHEMBL13024476
DTXSID70338049
GYOXQZZYNAPKIQ-UHFFFAOYSA-N
6-tert-Butyl-2,3,4,5-tetrahydropyridine #
Microorganism:

Yes

IUPAC name6-tert-butyl-2,3,4,5-tetrahydropyridine
SMILESCC(C)(C)C1=NCCCC1
InchiInChI=1S/C9H17N/c1-9(2,3)8-6-4-5-7-10-8/h4-7H2,1-3H3
FormulaC9H17N
PubChem ID546050
Molweight139.24
LogP1.8
Atoms10
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationimines heterocyclic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1-phenyl-N-propylmethanimine

Compound Details

Synonymous names
Propylamine, N-benzylidene-
1-Propanamine, N-(phenylmethylene)-
1-phenyl-N-propylmethanimine
N-Propylbenzylideneimine
6852-55-7
N-Benzylidenepropylamine
T2W67C4NZ6
Benzylidene-propyl-amine
Propylamine, N-benzylidene-, (E)-
N-Benzylidenepropan-1-amine
UNII-T2W67C4NZ6
(N(E))-N-(Phenylmethylene)-1-propanamine
1-Propanamine, N-(phenylmethylene)-, (E)-
1-Propanamine, N-(phenylmethylene)-, (N(E))-
NSC 69424
NSC-69424
27845-48-3
N-(Phenylmethylidene)-1-propanamine
NSC69424
NCIOpen2_000375
SCHEMBL5235095
SCHEMBL6289914
DTXSID70290552
DFROALYLRQTARX-PKNBQFBNSA-N
DFROALYLRQTARX-UHFFFAOYSA-N
N-(phenylmethylene)-1-propanamine
AKOS006346534
AKOS024332522
Microorganism:

Yes

IUPAC name1-phenyl-N-propylmethanimine
SMILESCCCN=CC1=CC=CC=C1
InchiInChI=1S/C10H13N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
FormulaC10H13N
PubChem ID250250
Molweight147.22
LogP2.5
Atoms11
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds imines benzenoids nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAJünger et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiColumbia sheep bloodTD/GC-MS and MCC-IMSno


N-methyl-1-phenylmethanimine

Compound Details

Synonymous names
N-Benzylidenemethylamine
622-29-7
N-Benzylidenemethanamine
N-methyl-1-phenylmethanimine
Benzylidenemethylamine
N-Methylbenzaldimine
Benzylidenemethanamine
Methanamine, N-(phenylmethylene)-
N-Methylbenzylideneamine
Benzylidene-methyl-amine
Methylamine, N-benzylidene-
N-(Phenylmethylene)methanamine
(E)-N-benzylidenemethanamine
25521-74-8
MFCD00008294
NSC 69423
(E)-METHYL(PHENYLMETHYLIDENE)AMINE
(E)-N-Methyl-1-phenylmethanimine
N-Benzalmethylamine
Benzylidene(methyl)amine
N-Methylbenzenemethanimine
Benzalmethylamine
benzal-methylamine
N-Methylbenzalimine
NSC69423
EINECS 210-728-2
N-Methylbenzylidenimine
Benzaldehyde methylimine
N-Methyl-a-tolueneimine
(E)-2-phenylethenamine
AI3-52568
Benzaldehyde N-methylimine
EC 210-728-2
N-Methyl-alpha-tolueneimine
NCIOpen2_000335
SCHEMBL842361
(E)-N-BenzylidenemethanamineE
N-Benzylidenemethylamine, 97%
SCHEMBL8313139
DTXSID7060750
CHEBI:192439
HXTGGPKOEKKUQO-UHFFFAOYSA-N
HXTGGPKOEKKUQO-VQHVLOKHSA-N
N-(Phenylmethylidene)methanamine #
AMY11008
NSC-69423
N-[(E)-Phenylmethylidene]methanamine
AKOS005207315
AS-58329
SY317452
DB-054100
A8598
CS-0151232
NS00001071
D94771
EN300-6729518
Microorganism:

Yes

IUPAC nameN-methyl-1-phenylmethanimine
SMILESCN=CC1=CC=CC=C1
InchiInChI=1S/C8H9N/c1-9-7-8-5-3-2-4-6-8/h2-7H,1H3
FormulaC8H9N
PubChem ID73954
Molweight119.16
LogP1.6
Atoms9
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds imines benzenoids nitrogen compounds
CHEBI-ID192439

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAJünger et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiColumbia sheep bloodTD/GC-MS and MCC-IMSno


3-(2-phenylethylimino)butan-2-one

Compound Details

Synonymous names
schleiferon B
CHEBI:143031
(E)-3-(phenetylimino)-butan-2-one
Microorganism:

Yes

IUPAC name3-(2-phenylethylimino)butan-2-one
SMILESCC(=NCCC1=CC=CC=C1)C(=O)C
InchiInChI=1S/C12H15NO/c1-10(11(2)14)13-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
FormulaC12H15NO
PubChem ID86131664
Molweight189.25
LogP1.7
Atoms14
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids imines ketones nitrogen compounds
CHEBI-ID143031

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus Schleifericlinical isolateLemfack et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus Schleiferibrain heart infusion mediumPorapak / GC/MSyes


N-(3-methylbutyl)-2-phenylethanimine

Compound Details

Synonymous names
1-Butanamine, 3-methyl-N-(2-phenylethylidene)-
3-Methyl-N-[(E)-2-phenylethylidene]-1-butanamine #
UDSNAMUMSIUNOU-SDNWHVSQSA-N
UDSNAMUMSIUNOU-UHFFFAOYSA-N
N-(2-phenylethylidene)-3-methylbutylamine
Microorganism:

Yes

IUPAC nameN-(3-methylbutyl)-2-phenylethanimine
SMILESCC(C)CCN=CCC1=CC=CC=C1
InchiInChI=1S/C13H19N/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
FormulaC13H19N
PubChem ID576349
Molweight189.3
LogP3.1
Atoms14
Bonds5
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids nitrogen compounds aromatic compounds imines

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaProteus MirabilisNANAJünger et al. 2012
EukaryotaTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaProteus MirabilisColumbia sheep bloodTD/GC-MS and MCC-IMSno
EukaryotaTuber Melanosporumyes
ProkaryotaStigmatella Aurantiacan/an/ano


N-(3-methylbutyl)-1-phenylmethanimine

Compound Details

Synonymous names
(E)-N-isopentyl-1-phenylmethanimine
SCHEMBL8415752
CHEBI:220096
N-phenylmethylene-3-methylbutylamine
N-(3-methylbutyl)-1-phenylmethanimine
(e)-N-(3-methylbutyl)-1-phenylmethanimine
Microorganism:

Yes

IUPAC nameN-(3-methylbutyl)-1-phenylmethanimine
SMILESCC(C)CCN=CC1=CC=CC=C1
InchiInChI=1S/C12H17N/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
FormulaC12H17N
PubChem ID15061859
Molweight175.27
LogP3.2
Atoms13
Bonds4
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids nitrogen compounds imines
CHEBI-ID220096
Supernatural-IDSN0463817

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Popillaen/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Popillaen/an/ano


1-cyclohexyl-6-hydroxy-5-(2-piperazin-1-ylethyliminomethyl)pyrimidine-2,4-dione

Compound Details

Synonymous names
FWFBVFMJVPCPAR-WYMLVPIESA-N
STL337344
AKOS022138922
MCULE-3156459122
Pyrimidine-2,4,6-trione, 1-cyclohexyl-5-[(2-piperazin-1-yl-ethylamino)methylene]-
(5E)-1-cyclohexyl-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Microorganism:

Yes

IUPAC name1-cyclohexyl-6-hydroxy-5-(2-piperazin-1-ylethyliminomethyl)pyrimidine-2,4-dione
SMILESC1CCC(CC1)N2C(=C(C(=O)NC2=O)C=NCCN3CCNCC3)O
InchiInChI=1S/C17H27N5O3/c23-15-14(12-19-8-11-21-9-6-18-7-10-21)16(24)22(17(25)20-15)13-4-2-1-3-5-13/h12-13,18,24H,1-11H2,(H,20,23,25)
FormulaC17H27N5O3
PubChem ID1845939
Molweight349.4
LogP0
Atoms25
Bonds5
H-bond Acceptor6
H-bond Donor3
Chemical Classificationpyrimidines piperazines amides nitrogen compounds alcohols amines imines

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


2-hydroxypyridazin-3-imine

Compound Details

Synonymous names
33471-48-6
SCHEMBL1735272
3-Pyridazinamine,2-oxide(9ci)
Microorganism:

No

IUPAC name2-hydroxypyridazin-3-imine
SMILESC1=CC(=N)N(N=C1)O
InchiInChI=1S/C4H5N3O/c5-4-2-1-3-6-7(4)8/h1-3,5,8H
FormulaC4H5N3O
PubChem ID556834
Molweight111.1
LogP-0.9
Atoms8
Bonds0
H-bond Acceptor3
H-bond Donor2
Chemical Classificationheterocyclic compounds imines nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


3-hydroxy-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-imine

Compound Details

Synonymous names
2-Imino-5,6-dihydro-2H-cyclopenta[d][1,3]thiazol-3(4H)-ol
738528-09-1
DTXSID40873311
WLQKCALWPCEPQY-UHFFFAOYSA-N
2H-Cyclopentathiazol-2-imine, 3,4,5,6-tetrahydro-3-hydroxy-
2-Imino-5,6-dihydro-2H-cyclopenta[d][1,3]thiazol-3(4H)-ol #
Microorganism:

No

IUPAC name3-hydroxy-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-imine
SMILESC1CC2=C(C1)SC(=N)N2O
InchiInChI=1S/C6H8N2OS/c7-6-8(9)4-2-1-3-5(4)10-6/h7,9H,1-3H2
FormulaC6H8N2OS
PubChem ID587462
Molweight156.21
LogP0.7
Atoms10
Bonds0
H-bond Acceptor3
H-bond Donor2
Chemical Classificationheterocyclic compounds imines nitrogen compounds sulfur compounds thiazoles

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


1-methyl-1-(2-methylphenyl)-2-(2-oxochromen-6-yl)guanidine

Compound Details

Synonymous names
1-(6-Coumarinyl)-3-methyl-3-(2-methylphenyl)guanidine
BTDVUPODIDFBPG-UHFFFAOYSA-N
N-Methyl-N-(2-methylphenyl)-N'-(2-oxo-2H-chromen-6-yl)guanidine #
Microorganism:

No

IUPAC name1-methyl-1-(2-methylphenyl)-2-(2-oxochromen-6-yl)guanidine
SMILESCC1=CC=CC=C1N(C)C(=NC2=CC3=C(C=C2)OC(=O)C=C3)N
InchiInChI=1S/C18H17N3O2/c1-12-5-3-4-6-15(12)21(2)18(19)20-14-8-9-16-13(11-14)7-10-17(22)23-16/h3-11H,1-2H3,(H2,19,20)
FormulaC18H17N3O2
PubChem ID626164
Molweight307.3
LogP2.9
Atoms23
Bonds3
H-bond Acceptor3
H-bond Donor1
Chemical Classificationamines aromatic compounds benzenoids heterocyclic compounds imines lactones nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


4-[(5-bromothiophen-2-yl)methylideneamino]benzamide

Compound Details

Synonymous names
Benzamide, 4-(5-bromo-2-thenylidenamino)-
315670-80-5
4-{[(5-bromo-2-thienyl)methylene]amino}benzamide
4-[[(5-bromo-2-thienyl)methylene]amino]Benzamide
CBDivE_015994
4-[(5-bromothiophen-2-yl)methylideneamino]benzamide
FJVRMIXZEQOKER-VIZOYTHASA-N
STK016817
AKOS000488106
AN-329/10003058
SR-01000199501
SR-01000199501-1
4-([(E)-(5-Bromo-2-thienyl)methylidene]amino)benzamide #
4-{[(E)-(5-bromothiophen-2-yl)methylidene]amino}benzamide
Microorganism:

No

IUPAC name4-[(5-bromothiophen-2-yl)methylideneamino]benzamide
SMILESC1=CC(=CC=C1C(=O)N)N=CC2=CC=C(S2)Br
InchiInChI=1S/C12H9BrN2OS/c13-11-6-5-10(17-11)7-15-9-3-1-8(2-4-9)12(14)16/h1-7H,(H2,14,16)
FormulaC12H9BrN2OS
PubChem ID628250
Molweight309.18
LogP3.1
Atoms17
Bonds3
H-bond Acceptor3
H-bond Donor1
Chemical Classificationamides aromatic compounds benzenoids bromides halogenated compounds heterocyclic compounds imines nitrogen compounds sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] Acetate

Compound Details

Synonymous names
3-Hydroxyphenazepam Acetate
7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
70030-10-3
ZINC00970070
Oprea1_550210
MLS001012264
CHEMBL1517541
WFNOHKYMHSJTSM-UHFFFAOYSA-N
HMS2780L19
STK862143
AKOS002312870
AKOS016116821
SMR000425068
2H-1,4-Benzodiazepin-2-one, 3-(acetyloxy)-7-bromo-5-(2-chlorophenyl)-1,3-dihydro-
7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate #
Acetic acid 7-bromo-5-(2-chloro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester
Microorganism:

No

IUPAC name[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
SMILESCC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl
InchiInChI=1S/C17H12BrClN2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23)
FormulaC17H12BrClN2O3
PubChem ID630731
Molweight407.6
LogP3
Atoms24
Bonds3
H-bond Acceptor4
H-bond Donor1
Chemical Classificationamides aromatic compounds benzenoids bromides chlorides esters halogenated compounds heterocyclic compounds imines

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


14,20-bis(methylsulfanyl)-24-azapentacyclo[10.9.2.115,19.02,11.04,9]tetracosa-1(22),2,4,6,8,10,12(23),15,17,19(24)-decaene

Compound Details

Synonymous names
QGZMVHKVOPPBGC-UHFFFAOYSA-N
6,16-Etheno-13,9-nitrilo-9H-cyclotrideca[b]naphthalene, 7,8,14,15-tetrahydro-8,14-bis(methylthio)-
Microorganism:

No

IUPAC name14,20-bis(methylsulfanyl)-24-azapentacyclo[10.9.2.115,19.02,11.04,9]tetracosa-1(22),2,4,6,8,10,12(23),15,17,19(24)-decaene
SMILESCSC1CC2=CC=C(CC(C3=CC=CC1=N3)SC)C4=CC5=CC=CC=C5C=C24
InchiInChI=1S/C25H23NS2/c1-27-24-14-18-10-11-19(15-25(28-2)23-9-5-8-22(24)26-23)21-13-17-7-4-3-6-16(17)12-20(18)21/h3-13,24-25H,14-15H2,1-2H3
FormulaC25H23NS2
PubChem ID634067
Molweight401.6
LogP6.1
Atoms28
Bonds2
H-bond Acceptor3
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids imines nitrogen compounds sulfur compounds thioethers

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno


Compound Details

Synonymous names
(2-Selenyl-3-benzo[b]thienylidene)-4-methylaniline
ZPAZVDZCQKVTEM-LICLKQGHSA-N
3-((E)-[(4-Methylphenyl)imino]methyl)-1-benzothiophene-2-selenol #
Microorganism:

No

IUPAC name
SMILESCC1=CC=C(C=C1)N=CC2=C(SC3=CC=CC=C32)[Se]
InchiInChI=1S/C16H12NSSe/c1-11-6-8-12(9-7-11)17-10-14-13-4-2-3-5-15(13)18-16(14)19/h2-10H,1H3
FormulaC16H12NSSe
PubChem ID6329185
Molweight329.3
LogP0
Atoms19
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids heterocyclic compounds imines nitrogen compounds selenides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


N-methyl-N-[4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino]phenyl]acetamide

Compound Details

Synonymous names
VYIALUFCLZTALA-CZIZESTLSA-N
acetamide, N-[4-[[1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene]amino]phenyl]-N-methyl-
Microorganism:

No

IUPAC nameN-methyl-N-[4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino]phenyl]acetamide
SMILESCC1=NN(C(=O)C1=NC2=CC=C(C=C2)N(C)C(=O)C)C3=CC=CC=C3
InchiInChI=1S/C19H18N4O2/c1-13-18(19(25)23(21-13)17-7-5-4-6-8-17)20-15-9-11-16(12-10-15)22(3)14(2)24/h4-12H,1-3H3
FormulaC19H18N4O2
PubChem ID91743027
Molweight334.4
LogP2.3
Atoms25
Bonds3
H-bond Acceptor4
H-bond Donor0
Chemical Classificationamides aromatic compounds benzenoids heterocyclic compounds imines pyrazoles

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno


1-N',2-N'-bis(2-chlorophenyl)-1-N,2-N-dihydroxyethanediimidamide

Compound Details

Synonymous names
PABLIIZYRHGLJB-UHFFFAOYSA-N
STL575088
AKOS001710166
Aminoglyoxime, N,N'-bis(2-chlorophenyl)-
(1Z,2Z)-N~1~,N~2~-bis(2-chlorophenyl)-N'~1~,N'~2~-dihydroxyethanediimidamide
Microorganism:

No

IUPAC name1-N',2-N'-bis(2-chlorophenyl)-1-N,2-N-dihydroxyethanediimidamide
SMILESC1=CC=C(C(=C1)N=C(C(=NC2=CC=CC=C2Cl)NO)NO)Cl
InchiInChI=1S/C14H12Cl2N4O2/c15-9-5-1-3-7-11(9)17-13(19-21)14(20-22)18-12-8-4-2-6-10(12)16/h1-8,21-22H,(H,17,19)(H,18,20)
FormulaC14H12Cl2N4O2
PubChem ID135496947
Molweight339.2
LogP4.3
Atoms22
Bonds5
H-bond Acceptor4
H-bond Donor4
Chemical Classificationaromatic compounds benzenoids chlorides halogenated compounds imines nitrogen compounds oximes

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno