CID 2822262

358747-62-3

Structural Information

Molecular Formula

C₂₄H₂₅N₃O

SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O/c28-24(25-22-14-8-3-9-15-22)27-18-16-26(17-19-27)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2,(H,25,28)

InChIKey

WGGBWHQLKQIGBR-UHFFFAOYSA-N

Compound name

4-benzhydryl-N-phenylpiperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 371.19977 Da
Monoisotopic Mass: 4.1
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]+	372.20705	190.3
[M+Na]+	394.18899	191.5
[M-H]-	370.19249	198.0
[M+NH4]+	389.23359	197.2
[M+K]+	410.16293	185.0
[M+H-H2O]+	354.19703	177.3
[M+HCOO]-	416.19797	205.9
[M+CH3COO]-	430.21362	197.1
[M+Na-2H]-	392.17444	192.6
[M]+	371.19922	182.8
[M]-	371.20032	182.8

Literature stripe

literature stripe

Patent stripe

patents stripe