CID 6447952

Piperazine, 1-((4-chlorophenyl)methyl)-4-(3-(2,4-dichlorophenyl)-2-propenyl)-, 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]+ 395.084306 191.6
[M+Na]+ 417.066248 198.7
[M-H]- 393.069754 194.8
[M+NH4]+ 412.110853 201.3
[M+K]+ 433.040188 189.3
[M+H-H2O]+ 377.074290 181.3
[M+HCOO]- 439.075231 192.9
[M+CH3COO]- 453.090881 198.7
[M+Na-2H]- 415.051696 190.2
[M]+ 394.07648142 191.1
[M]- 394.07757858 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