CID 16226926

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloroacetamide hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₂ClN₃O

SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCl

InChI

InChI=1S/C19H22ClN3O/c20-14-19(24)21-17-6-8-18(9-7-17)23-12-10-22(11-13-23)15-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)

InChIKey

UVWFRHATMSUKBG-UHFFFAOYSA-N

Compound name

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 343.14514 Da
Monoisotopic Mass: 3.1
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	181.8
[M+Na]+	366.134358	186.1
[M-H]-	342.137864	187.1
[M+NH4]+	361.178963	192.0
[M+K]+	382.108298	179.3
[M+H-H2O]+	326.142400	170.9
[M+HCOO]-	388.143341	194.5
[M+CH3COO]-	402.158991	190.0
[M+Na-2H]-	364.119806	184.1
[M]+	343.14459142	178.9
[M]-	343.14568858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.