CID 2870383

384352-10-7

Structural Information

Molecular Formula
C32H28N4O3
SMILES
C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C32H28N4O3/c37-32-31(36(38)39)30(27-18-10-11-19-28(27)35(32)26-16-8-3-9-17-26)34-22-20-33(21-23-34)29(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-19,29H,20-23H2
InChIKey
CTDYFVLXBZHYTN-UHFFFAOYSA-N
Compound name
4-(4-benzhydrylpiperazin-1-yl)-3-nitro-1-phenylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.2161 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.22338 226.3
[M+Na]+ 539.20532 226.9
[M-H]- 515.20882 236.1
[M+NH4]+ 534.24992 225.1
[M+K]+ 555.17926 214.5
[M+H-H2O]+ 499.21336 213.2
[M+HCOO]- 561.21430 237.9
[M+CH3COO]- 575.22995 239.9
[M+Na-2H]- 537.19077 228.9
[M]+ 516.21555 218.3
[M]- 516.21665 218.3
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.