CID 169502175

Moclobemide metabolite m19

Structural Information

Molecular Formula
C13H16ClN2O4
SMILES
C1COCC(=O)[N+]1(CCNC(=O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H15ClN2O4/c14-11-3-1-10(2-4-11)13(18)15-5-6-16(19)7-8-20-9-12(16)17/h1-4,19H,5-9H2/p+1
InChIKey
PARWYPJMBDCWPM-UHFFFAOYSA-O
Compound name
4-chloro-N-[2-(4-hydroxy-3-oxomorpholin-4-ium-4-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07986 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08714 162.6
[M+Na]+ 322.06908 176.1
[M+NH4]+ 317.11368 171.6
[M+K]+ 338.04302 169.4
[M-H]- 298.07258 167.7
[M+Na-2H]- 320.05453 170.1
[M]+ 299.07931 166.5
[M]- 299.08041 166.5
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.