CID 471628

4-chloro-n-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

Structural Information

Molecular Formula

C₁₉H₂₂ClN₃O

SMILES

CN1CCN(CC1)CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN3O/c1-22-10-12-23(13-11-22)14-16-4-2-3-5-18(16)21-19(24)15-6-8-17(20)9-7-15/h2-9H,10-14H2,1H3,(H,21,24)

InChIKey

RACMYQAWQUFDQJ-UHFFFAOYSA-N

Compound name

4-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 343.14514 Da
Monoisotopic Mass: 3.0
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]+	344.152416	182.5
[M+Na]+	366.134358	187.7
[M-H]-	342.137864	188.2
[M+NH4]+	361.178963	193.0
[M+K]+	382.108298	180.9
[M+H-H2O]+	326.142400	171.8
[M+HCOO]-	388.143341	195.2
[M+CH3COO]-	402.158991	191.1
[M+Na-2H]-	364.119806	183.9
[M]+	343.14459142	180.0
[M]-	343.14568858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.