CID 85584809

Moclobemide metabolite m17

Structural Information

Molecular Formula
C12H15ClN2O3
SMILES
C1=CC(=CC=C1C(=O)NCCN(CCO)C=O)Cl
InChI
InChI=1S/C12H15ClN2O3/c13-11-3-1-10(2-4-11)12(18)14-5-6-15(9-17)7-8-16/h1-4,9,16H,5-8H2,(H,14,18)
InChIKey
HYSGOANDAXIODH-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-[formyl(2-hydroxyethyl)amino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.07712 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08440 159.3
[M+Na]+ 293.06634 169.2
[M+NH4]+ 288.11094 165.7
[M+K]+ 309.04028 163.6
[M-H]- 269.06984 160.6
[M+Na-2H]- 291.05179 164.1
[M]+ 270.07657 161.0
[M]- 270.07767 161.0
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.