CID 3025448

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

Structural Information

Molecular Formula
C25H24N4O4
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)CNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H24N4O4/c30-24(28-15-13-27(14-16-28)20-9-5-2-6-10-20)18-26-23-12-11-21(29(32)33)17-22(23)25(31)19-7-3-1-4-8-19/h1-12,17,26H,13-16,18H2
InChIKey
UTELIRRCGKXVEN-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-nitroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.17975 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.18703 204.1
[M+Na]+ 467.16897 203.9
[M-H]- 443.17247 212.2
[M+NH4]+ 462.21357 206.9
[M+K]+ 483.14291 194.4
[M+H-H2O]+ 427.17701 195.0
[M+HCOO]- 489.17795 220.4
[M+CH3COO]- 503.19360 226.6
[M+Na-2H]- 465.15442 206.9
[M]+ 444.17920 197.0
[M]- 444.18030 197.0
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.

Patent stripe

No patent data available for this compound.