CID 169502151

Moclobemide metabolite m13

Structural Information

Molecular Formula
C13H15ClN2O4
SMILES
C1C(OCC(=O)N1CCNC(=O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H15ClN2O4/c14-10-3-1-9(2-4-10)13(19)15-5-6-16-7-12(18)20-8-11(16)17/h1-4,12,18H,5-8H2,(H,15,19)
InChIKey
TZWPFIVGXYLZEH-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(2-hydroxy-5-oxomorpholin-4-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

298.07202 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.07930 165.7
[M+Na]+ 321.06124 172.0
[M-H]- 297.06474 169.9
[M+NH4]+ 316.10584 177.9
[M+K]+ 337.03518 168.8
[M+H-H2O]+ 281.06928 158.3
[M+HCOO]- 343.07022 179.0
[M+CH3COO]- 357.08587 199.6
[M+Na-2H]- 319.04669 168.4
[M]+ 298.07147 165.7
[M]- 298.07257 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.