CID 200857

Piperazine, 1-(o-chlorophenyl)-4-(4-phenoxybutyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₅ClN₂O

SMILES

C1CN(CCN1CCCCOC2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H25ClN2O/c21-19-10-4-5-11-20(19)23-15-13-22(14-16-23)12-6-7-17-24-18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2

InChIKey

BZSJJIBXMWVRDO-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-4-(4-phenoxybutyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.16553 Da
Monoisotopic Mass: 4.9
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]+	345.172806	183.7
[M+Na]+	367.154748	188.2
[M-H]-	343.158254	188.5
[M+NH4]+	362.199353	194.2
[M+K]+	383.128688	181.3
[M+H-H2O]+	327.162790	172.3
[M+HCOO]-	389.163731	195.6
[M+CH3COO]-	403.179381	191.9
[M+Na-2H]-	365.140196	185.8
[M]+	344.16498142	182.9
[M]-	344.16607858	182.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.