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 191.6
[M+Na]+ 417.06625 198.7
[M-H]- 393.06975 194.8
[M+NH4]+ 412.11085 201.3
[M+K]+ 433.04019 189.3
[M+H-H2O]+ 377.07429 181.3
[M+HCOO]- 439.07523 192.9
[M+CH3COO]- 453.09088 198.7
[M+Na-2H]- 415.05170 190.2
[M]+ 394.07648 191.1
[M]- 394.07758 191.1
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