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 197.1
[M+Na]+ 439.14507 212.2
[M+NH4]+ 434.18967 204.8
[M+K]+ 455.11901 201.2
[M-H]- 415.14857 204.7
[M+Na-2H]- 437.13052 208.2
[M]+ 416.15530 202.0
[M]- 416.15640 202.0
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.

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No patent data available for this compound.