CID 2780

Clebopride

Structural Information

Molecular Formula

C₂₀H₂₄ClN₃O₂

SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)

InChIKey

BVPWJMCABCPUQY-UHFFFAOYSA-N

Compound name

4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 141
References: 18751
Patents: 373.1557 Da
Monoisotopic Mass: 3.2
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]+	374.16298	190.0
[M+Na]+	396.14492	194.8
[M-H]-	372.14842	196.9
[M+NH4]+	391.18952	200.4
[M+K]+	412.11886	188.6
[M+H-H2O]+	356.15296	180.2
[M+HCOO]-	418.15390	204.4
[M+CH3COO]-	432.16955	220.9
[M+Na-2H]-	394.13037	189.8
[M]+	373.15515	187.8
[M]-	373.15625	187.8

Literature stripe

literature stripe

Patent stripe

patents stripe