CID 169502288

Moclobemide metabolite m16

Structural Information

Molecular Formula
C13H15ClN2O4
SMILES
C1COC(C(=O)N1CCNC(=O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H15ClN2O4/c14-10-3-1-9(2-4-10)11(17)15-5-6-16-7-8-20-13(19)12(16)18/h1-4,13,19H,5-8H2,(H,15,17)
InChIKey
ZZVJXDOQSLLSMV-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

298.07202 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.079296 165.7
[M+Na]+ 321.061238 172.0
[M-H]- 297.064744 169.9
[M+NH4]+ 316.105843 177.9
[M+K]+ 337.035178 168.8
[M+H-H2O]+ 281.069280 158.3
[M+HCOO]- 343.070221 179.0
[M+CH3COO]- 357.085871 199.6
[M+Na-2H]- 319.046686 168.4
[M]+ 298.07147142 165.7
[M]- 298.07256858 165.7
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.