CID 121094

Piperazine, 1-(2,5-dichlorophenyl)-4-(3,4-dimethoxyphenethyl)-

Structural Information

Molecular Formula

C₂₀H₂₄Cl₂N₂O₂

SMILES

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

InChI

InChI=1S/C20H24Cl2N2O2/c1-25-19-6-3-15(13-20(19)26-2)7-8-23-9-11-24(12-10-23)18-14-16(21)4-5-17(18)22/h3-6,13-14H,7-12H2,1-2H3

InChIKey

YQCXMDOKROYEFC-UHFFFAOYSA-N

Compound name

1-(2,5-dichlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 394.1215 Da
Monoisotopic Mass: 5.0
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]+	395.128776	192.4
[M+Na]+	417.110718	199.9
[M-H]-	393.114224	197.6
[M+NH4]+	412.155323	202.2
[M+K]+	433.084658	192.9
[M+H-H2O]+	377.118760	181.9
[M+HCOO]-	439.119701	199.4
[M+CH3COO]-	453.135351	219.5
[M+Na-2H]-	415.096166	191.6
[M]+	394.12095142	195.6
[M]-	394.12204858	195.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.