CID 169502116

Moclobemide metabolite m1

Structural Information

Molecular Formula
C13H17ClN2O3
SMILES
C1COCC(N1CCNC(=O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H17ClN2O3/c14-11-3-1-10(2-4-11)13(18)15-5-6-16-7-8-19-9-12(16)17/h1-4,12,17H,5-9H2,(H,15,18)
InChIKey
RWLWHZVSCGJJTJ-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(3-hydroxymorpholin-4-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09277 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10005 163.6
[M+Na]+ 307.08199 175.1
[M+NH4]+ 302.12659 170.6
[M+K]+ 323.05593 169.3
[M-H]- 283.08549 167.5
[M+Na-2H]- 305.06744 168.8
[M]+ 284.09222 166.4
[M]- 284.09332 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.