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

2
Annotation Hits: 0
References: 0
Patents: 270.07712 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.084396	159.4
[M+Na]+	293.066338	165.4
[M-H]-	269.069844	162.7
[M+NH4]+	288.110943	175.9
[M+K]+	309.040278	162.1
[M+H-H2O]+	253.074380	153.2
[M+HCOO]-	315.075321	179.6
[M+CH3COO]-	329.090971	200.6
[M+Na-2H]-	291.051786	163.0
[M]+	270.07657142	163.0
[M]-	270.07766858	163.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.