CID 4235

Moclobemide

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₂

SMILES

C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)

InChIKey

YHXISWVBGDMDLQ-UHFFFAOYSA-N

Compound name

4-chloro-N-(2-morpholin-4-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1025
References: 29526
Patents: 268.09787 Da
Monoisotopic Mass: 1.5
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]+	269.10515	161.2
[M+Na]+	291.08709	166.0
[M-H]-	267.09059	165.9
[M+NH4]+	286.13169	174.9
[M+K]+	307.06103	162.9
[M+H-H2O]+	251.09513	153.2
[M+HCOO]-	313.09607	175.4
[M+CH3COO]-	327.11172	195.9
[M+Na-2H]-	289.07254	165.5
[M]+	268.09732	160.0
[M]-	268.09842	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe