Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	87103
Common Name:	Ferimzone
Systematic Name:	4,6-dimethyl-N-[(Z)-1-(o-tolyl)ethylideneamino]pyrimidin-2-amine
RefMet Name:	Ferimzone
Synonyms:	Meferimzone; (Z)-Ferimzone [PubChem Synonyms]
Exact Mass:	254.1531 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C15H18N4
InChIKey:	GOWLARCWZRESHU-AQTBWJFISA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Toluenes [C0001091]
ClassyFire direct parent:	Toluenes [C0001091]
MoNA MS spectra:	View MS spectra
SMILES:	Cc1ccccc1/C(=N\Nc1nc(C)cc(C)n1)/C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	9013425
CHEBI ID:	81844
KEGG ID:	C18579
Chemspider ID:	7304099
EPA CompTox DB:	DTXCID101049632
Plant Metabolite Hub(Pmhub):	MS000013929

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y