RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200367
RefMet name	Tacrine
Systematic name	1,2,3,4-tetrahydroacridin-9-amine
Synonyms	PubChem Synonyms
Exact mass	198.115698 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C13H14N2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	42749 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	YLJREFDVOIBQDA-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1ccc2c(c1)c(c1CCCCc1n2)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Quinolines
Sub Class	Phenylquinolines
Distribution of Tacrine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Tacrine
External Links
Pubchem CID	1935
ChEBI ID	45980
KEGG ID	C01453
HMDB ID	HMDB0014526
Chemspider ID	1859
MetaCyc ID	CPD-10887
EPA CompTox	DTXCID9017272
Spectral data for Tacrine standards
MassBank(EU)	View MS spectra