CID 3086916

4-(1-(5-chloro-2-((2-chlorophenyl)thio)phenyl)ethyl)-1-phenylpiperazine dihydrochloride

Structural Information

Molecular Formula
C24H24Cl2N2S
SMILES
CC(C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2Cl)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H24Cl2N2S/c1-18(27-13-15-28(16-14-27)20-7-3-2-4-8-20)21-17-19(25)11-12-23(21)29-24-10-6-5-9-22(24)26/h2-12,17-18H,13-16H2,1H3
InChIKey
CVCPJBURRNAXFE-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-(2-chlorophenyl)sulfanylphenyl]ethyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.10373 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.11101 204.6
[M+Na]+ 465.09295 223.0
[M+NH4]+ 460.13755 214.5
[M+K]+ 481.06689 209.0
[M-H]- 441.09645 213.6
[M+Na-2H]- 463.07840 216.0
[M]+ 442.10318 211.2
[M]- 442.10428 211.2
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.