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]+ 441.192116 208.1
[M+Na]+ 463.174058 211.4
[M-H]- 439.177564 216.2
[M+NH4]+ 458.218663 211.3
[M+K]+ 479.147998 199.6
[M+H-H2O]+ 423.182100 197.2
[M+HCOO]- 485.183041 222.3
[M+CH3COO]- 499.198691 225.7
[M+Na-2H]- 461.159506 212.6
[M]+ 440.18429142 202.0
[M]- 440.18538858 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.