CID 3086881

Piperazine, 1-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-4-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C24H23Cl3N2S
SMILES
CC(C1=C(C=CC(=C1)Cl)SC2=CC(=C(C=C2)Cl)Cl)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H23Cl3N2S/c1-17(28-11-13-29(14-12-28)19-5-3-2-4-6-19)21-15-18(25)7-10-24(21)30-20-8-9-22(26)23(27)16-20/h2-10,15-17H,11-14H2,1H3
InChIKey
CTMMBWNZQQRDPB-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.06476 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.07204 212.6
[M+Na]+ 499.05398 231.3
[M+NH4]+ 494.09858 222.1
[M+K]+ 515.02792 216.9
[M-H]- 475.05748 221.0
[M+Na-2H]- 497.03943 223.0
[M]+ 476.06421 219.4
[M]- 476.06531 219.4
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.