CID 169501927

Moclobemide metabolite m6

Structural Information

Molecular Formula

C₁₃H₂₃ClN₂O₄

SMILES

C1CC(CCC1C(=O)NCC[N+]2(CCOCC2O)[O-])Cl

InChI

InChI=1S/C13H23ClN2O4/c14-11-3-1-10(2-4-11)13(18)15-5-6-16(19)7-8-20-9-12(16)17/h10-12,17H,1-9H2,(H,15,18)

InChIKey

RGDUZWCLJNUPDZ-UHFFFAOYSA-N

Compound name

4-chloro-N-[2-(3-hydroxy-4-oxidomorpholin-4-ium-4-yl)ethyl]cyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 306.13464 Da
Monoisotopic Mass: 0.5
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]+	307.141916	169.1
[M+Na]+	329.123858	170.7
[M-H]-	305.127364	170.2
[M+NH4]+	324.168463	181.5
[M+K]+	345.097798	163.3
[M+H-H2O]+	289.131900	167.5
[M+HCOO]-	351.132841	176.7
[M+CH3COO]-	365.148491	189.2
[M+Na-2H]-	327.109306	172.5
[M]+	306.13409142	161.2
[M]-	306.13518858	161.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.