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]+ 285.100046 164.1
[M+Na]+ 307.081988 169.3
[M-H]- 283.085494 167.9
[M+NH4]+ 302.126593 176.8
[M+K]+ 323.055928 166.0
[M+H-H2O]+ 267.090030 156.5
[M+HCOO]- 329.090971 177.0
[M+CH3COO]- 343.106621 196.9
[M+Na-2H]- 305.067436 167.4
[M]+ 284.09222142 163.0
[M]- 284.09331858 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

literature stripe

Patent stripe

No patent data available for this compound.