CID 3086877

1-(1-(5-chloro-2-(phenylthio)phenyl)ethyl)-4-phenylpiperazine monohydrochloride

Structural Information

Molecular Formula
C24H25ClN2S
SMILES
CC(C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H25ClN2S/c1-19(26-14-16-27(17-15-26)21-8-4-2-5-9-21)23-18-20(25)12-13-24(23)28-22-10-6-3-7-11-22/h2-13,18-19H,14-17H2,1H3
InChIKey
STWHQBOLOTULSN-UHFFFAOYSA-N
Compound name
1-[1-(5-chloro-2-phenylsulfanylphenyl)ethyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1427 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14998 195.9
[M+Na]+ 431.13192 201.4
[M-H]- 407.13542 204.2
[M+NH4]+ 426.17652 204.4
[M+K]+ 447.10586 192.5
[M+H-H2O]+ 391.13996 184.6
[M+HCOO]- 453.14090 202.1
[M+CH3COO]- 467.15655 203.4
[M+Na-2H]- 429.11737 194.4
[M]+ 408.14215 194.8
[M]- 408.14325 194.8
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.