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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14192 169.1
[M+Na]+ 329.12386 170.7
[M-H]- 305.12736 170.2
[M+NH4]+ 324.16846 181.5
[M+K]+ 345.09780 163.3
[M+H-H2O]+ 289.13190 167.5
[M+HCOO]- 351.13284 176.7
[M+CH3COO]- 365.14849 189.2
[M+Na-2H]- 327.10931 172.5
[M]+ 306.13409 161.2
[M]- 306.13519 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.