CID 120969

Piperazine, 1-(p-chlorophenyl)-4-(3,4-dimethoxyphenethyl)-

Structural Information

Molecular Formula

C₂₀H₂₅ClN₂O₂

SMILES

COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C20H25ClN2O2/c1-24-19-8-3-16(15-20(19)25-2)9-10-22-11-13-23(14-12-22)18-6-4-17(21)5-7-18/h3-8,15H,9-14H2,1-2H3

InChIKey

YKXZKEJFFPQWAS-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 360.16046 Da
Monoisotopic Mass: 4.0
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]+	361.167736	187.3
[M+Na]+	383.149678	193.6
[M-H]-	359.153184	193.1
[M+NH4]+	378.194283	197.7
[M+K]+	399.123618	187.5
[M+H-H2O]+	343.157720	176.3
[M+HCOO]-	405.158661	199.5
[M+CH3COO]-	419.174311	214.4
[M+Na-2H]-	381.135126	188.0
[M]+	360.15991142	188.8
[M]-	360.16100858	188.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.