CID 86127855

Moclobemide metabolite m12

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O₃

SMILES

C1=CC(=CC=C1C(=O)NCCNC(=O)CO)Cl

InChI

InChI=1S/C11H13ClN2O3/c12-9-3-1-8(2-4-9)11(17)14-6-5-13-10(16)7-15/h1-4,15H,5-7H2,(H,13,16)(H,14,17)

InChIKey

HIHHCFAOYNEJPM-UHFFFAOYSA-N

Compound name

4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 256.06146 Da
Monoisotopic Mass: 0.5
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]+	257.068736	155.2
[M+Na]+	279.050678	161.3
[M-H]-	255.054184	157.3
[M+NH4]+	274.095283	171.6
[M+K]+	295.024618	157.4
[M+H-H2O]+	239.058720	149.6
[M+HCOO]-	301.059661	174.3
[M+CH3COO]-	315.075311	194.6
[M+Na-2H]-	277.036126	158.8
[M]+	256.06091142	156.4
[M]-	256.06200858	156.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.