1',4'-bis(4-chlorophenyl)-1',4'-bis-n'-piperidinoacetamido-p-xylene (C34H40Cl2N4O2)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)CC(=O)NC(C2=CC=C(C=C2)C(C3=CC=C(C=C3)Cl)NC(=O)CN4CCCCC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C34H40Cl2N4O2/c35-29-15-11-27(12-16-29)33(37-31(41)23-39-19-3-1-4-20-39)25-7-9-26(10-8-25)34(28-13-17-30(36)18-14-28)38-32(42)24-40-21-5-2-6-22-40/h7-18,33-34H,1-6,19-24H2,(H,37,41)(H,38,42)

InChIKey

JICFULVYIXBFPV-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)-[4-[(4-chlorophenyl)-[(2-piperidin-1-ylacetyl)amino]methyl]phenyl]methyl]-2-piperidin-1-ylacetamide

Related CIDs

2D Structure

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]+	607.260076	240.3
[M+Na]+	629.242018	236.7
[M-H]-	605.245524	247.9
[M+NH4]+	624.286623	238.2
[M+K]+	645.215958	228.9
[M+H-H2O]+	589.250060	226.0
[M+HCOO]-	651.251001	239.7
[M+CH3COO]-	665.266651	241.0
[M+Na-2H]-	627.227466	234.0
[M]+	606.25225142	234.2
[M]-	606.25334858	234.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

607.260076

240.3

[M+Na]+

629.242018

236.7

[M-H]-

605.245524

247.9

[M+NH4]+

624.286623

238.2

[M+K]+

645.215958

228.9

[M+H-H2O]+

589.250060

226.0

[M+HCOO]-

651.251001

239.7

[M+CH3COO]-

665.266651

241.0

[M+Na-2H]-

627.227466

234.0

[M]+

606.25225142

234.2

[M]-

606.25334858

234.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1',4'-bis(4-chlorophenyl)-1',4'-bis-n'-piperidinoacetamido-p-xylene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe