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
2
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 164.1
[M+Na]+ 307.08199 169.3
[M-H]- 283.08549 167.9
[M+NH4]+ 302.12659 176.8
[M+K]+ 323.05593 166.0
[M+H-H2O]+ 267.09003 156.5
[M+HCOO]- 329.09097 177.0
[M+CH3COO]- 343.10662 196.9
[M+Na-2H]- 305.06744 167.4
[M]+ 284.09222 163.0
[M]- 284.09332 163.0
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.