CID 3742144

4-(4-benzylpiperazin-1-yl)-3-nitro-1-phenylquinolin-2(1h)-one

Structural Information

Molecular Formula
C26H24N4O3
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N(C4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]
InChI
InChI=1S/C26H24N4O3/c31-26-25(30(32)33)24(28-17-15-27(16-18-28)19-20-9-3-1-4-10-20)22-13-7-8-14-23(22)29(26)21-11-5-2-6-12-21/h1-14H,15-19H2
InChIKey
WPGVTLHKHDVJES-UHFFFAOYSA-N
Compound name
4-(4-benzylpiperazin-1-yl)-3-nitro-1-phenylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

440.18484 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19212 208.1
[M+Na]+ 463.17406 211.4
[M-H]- 439.17756 216.2
[M+NH4]+ 458.21866 211.3
[M+K]+ 479.14800 199.6
[M+H-H2O]+ 423.18210 197.2
[M+HCOO]- 485.18304 222.3
[M+CH3COO]- 499.19869 225.7
[M+Na-2H]- 461.15951 212.6
[M]+ 440.18429 202.0
[M]- 440.18539 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

literature stripe

Patent stripe

No patent data available for this compound.