CID 121093

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

Structural Information

Molecular Formula
C20H24Cl2N2O2
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=C(C=C(C=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)18-5-4-16(21)14-17(18)22/h3-6,13-14H,7-12H2,1-2H3
InChIKey
SCFJEEHEJDXZPX-UHFFFAOYSA-N
Compound name
1-(2,4-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 192.4
[M+Na]+ 417.11072 199.9
[M-H]- 393.11422 197.6
[M+NH4]+ 412.15532 202.2
[M+K]+ 433.08466 192.9
[M+H-H2O]+ 377.11876 181.9
[M+HCOO]- 439.11970 199.4
[M+CH3COO]- 453.13535 219.5
[M+Na-2H]- 415.09617 191.6
[M]+ 394.12095 195.6
[M]- 394.12205 195.6
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.