CID 3086883

1-(1-(5-chloro-2-(4-chlorophenylthio)phenyl)ethyl)-4-(3-chlorophenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C24H23Cl3N2S
SMILES
CC(C1=C(C=CC(=C1)Cl)SC2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C24H23Cl3N2S/c1-17(28-11-13-29(14-12-28)21-4-2-3-19(26)15-21)23-16-20(27)7-10-24(23)30-22-8-5-18(25)6-9-22/h2-10,15-17H,11-14H2,1H3
InChIKey
KNBSWTXCEBVGMX-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]ethyl]-4-(3-chlorophenyl)piperazine
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 204.4
[M+Na]+ 499.05398 211.4
[M-H]- 475.05748 211.2
[M+NH4]+ 494.09858 211.4
[M+K]+ 515.02792 202.3
[M+H-H2O]+ 459.06202 194.1
[M+HCOO]- 521.06296 200.4
[M+CH3COO]- 535.07861 210.7
[M+Na-2H]- 497.03943 200.1
[M]+ 476.06421 206.0
[M]- 476.06531 206.0
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.