CID 203026

13694-50-3

Structural Information

Molecular Formula

C₂₀H₂₅ClN₂O

SMILES

CCOC(CC1=CC=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN2O/c1-2-24-20(16-17-6-4-3-5-7-17)23-14-12-22(13-15-23)19-10-8-18(21)9-11-19/h3-11,20H,2,12-16H2,1H3

InChIKey

DTWMBXXOOWWLTM-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-4-(1-ethoxy-2-phenylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.16553 Da
Monoisotopic Mass: 4.8
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	183.3
[M+Na]+	367.154748	187.6
[M-H]-	343.158254	188.3
[M+NH4]+	362.199353	193.8
[M+K]+	383.128688	181.2
[M+H-H2O]+	327.162790	172.2
[M+HCOO]-	389.163731	194.3
[M+CH3COO]-	403.179381	191.5
[M+Na-2H]-	365.140196	184.4
[M]+	344.16498142	182.0
[M]-	344.16607858	182.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.