CID 3025447

Piperazine, 1-(((2-benzoyl-4-chlorophenyl)amino)acetyl)-4-phenyl-

Structural Information

Molecular Formula
C25H24ClN3O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)CNC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H24ClN3O2/c26-20-11-12-23(22(17-20)25(31)19-7-3-1-4-8-19)27-18-24(30)29-15-13-28(14-16-29)21-9-5-2-6-10-21/h1-12,17,27H,13-16,18H2
InChIKey
SLPMAYYLLKQEEH-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-chloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1557 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16298 204.1
[M+Na]+ 456.14492 207.5
[M-H]- 432.14842 212.2
[M+NH4]+ 451.18952 209.8
[M+K]+ 472.11886 199.8
[M+H-H2O]+ 416.15296 191.4
[M+HCOO]- 478.15390 215.2
[M+CH3COO]- 492.16955 210.6
[M+Na-2H]- 454.13037 204.0
[M]+ 433.15515 201.2
[M]- 433.15625 201.2
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.