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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12878 192.7
[M+Na]+ 417.11072 209.4
[M+NH4]+ 412.15532 200.9
[M+K]+ 433.08466 199.2
[M-H]- 393.11422 198.3
[M+Na-2H]- 415.09617 201.1
[M]+ 394.12095 197.5
[M]- 394.12205 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.