CID 51060096

2-(4-benzoyl-1-piperazinyl)-1-(2-(phenylthio)phenyl)ethanone hydrochloride

Structural Information

Molecular Formula
C25H24N2O2S
SMILES
C1CN(CCN1CC(=O)C2=CC=CC=C2SC3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H24N2O2S/c28-23(22-13-7-8-14-24(22)30-21-11-5-2-6-12-21)19-26-15-17-27(18-16-26)25(29)20-9-3-1-4-10-20/h1-14H,15-19H2
InChIKey
RZPPOHMATNEHNW-UHFFFAOYSA-N
Compound name
2-(4-benzoylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.15585 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16313 199.9
[M+Na]+ 439.14507 203.1
[M-H]- 415.14857 208.0
[M+NH4]+ 434.18967 206.3
[M+K]+ 455.11901 196.0
[M+H-H2O]+ 399.15311 187.9
[M+HCOO]- 461.15405 210.0
[M+CH3COO]- 475.16970 206.6
[M+Na-2H]- 437.13052 198.4
[M]+ 416.15530 196.9
[M]- 416.15640 196.9
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.