CID 21109

Trimetazidine

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃

SMILES

COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC

InChI

InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3

InChIKey

UHWVSEOVJBQKBE-UHFFFAOYSA-N

Compound name

1-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1175
References: 5806
Patents: 266.16306 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.17034	163.4
[M+Na]+	289.15228	169.0
[M-H]-	265.15578	165.3
[M+NH4]+	284.19688	176.5
[M+K]+	305.12622	166.2
[M+H-H2O]+	249.16032	154.4
[M+HCOO]-	311.16126	179.8
[M+CH3COO]-	325.17691	195.5
[M+Na-2H]-	287.13773	165.9
[M]+	266.16251	162.8
[M]-	266.16361	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe