CID 6447952

1-(4-chlorobenzyl)-4-(2,4-dichlorocinnamyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C20H21Cl3N2
SMILES
C1CN(CCN1C/C=C/C2=C(C=C(C=C2)Cl)Cl)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H21Cl3N2/c21-18-6-3-16(4-7-18)15-25-12-10-24(11-13-25)9-1-2-17-5-8-19(22)14-20(17)23/h1-8,14H,9-13,15H2/b2-1+
InChIKey
MOZDOVQRCFIXGA-OWOJBTEDSA-N
Compound name
1-[(4-chlorophenyl)methyl]-4-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

394.07703 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08431 192.8
[M+Na]+ 417.06625 210.0
[M+NH4]+ 412.11085 201.5
[M+K]+ 433.04019 197.9
[M-H]- 393.06975 198.3
[M+Na-2H]- 415.05170 201.5
[M]+ 394.07648 197.9
[M]- 394.07758 197.9
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

patents stripe