CID 4322740

477333-96-3

Structural Information

Molecular Formula

C₂₁H₂₆ClN₃O

SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)C)Cl)C

InChI

InChI=1S/C21H26ClN3O/c1-15-4-7-20(17(3)12-15)25-10-8-24(9-11-25)14-21(26)23-18-6-5-16(2)19(22)13-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)

InChIKey

YNFXBVBFQDBFLS-UHFFFAOYSA-N

Compound name

N-(3-chloro-4-methylphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 371.17645 Da
Monoisotopic Mass: 4.5
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]+	372.183726	192.2
[M+Na]+	394.165668	198.4
[M-H]-	370.169174	198.4
[M+NH4]+	389.210273	202.2
[M+K]+	410.139608	191.4
[M+H-H2O]+	354.173710	181.7
[M+HCOO]-	416.174651	204.2
[M+CH3COO]-	430.190301	221.0
[M+Na-2H]-	392.151116	191.1
[M]+	371.17590142	191.3
[M]-	371.17699858	191.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.