CID 3157194

313398-96-8

Structural Information

Molecular Formula
C20H20N4O3
SMILES
CN1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H20N4O3/c1-21-11-13-22(14-12-21)18-16-9-5-6-10-17(16)23(15-7-3-2-4-8-15)20(25)19(18)24(26)27/h2-10H,11-14H2,1H3
InChIKey
IVPOUSHRTVIOIG-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-3-nitro-1-phenylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15353 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.160806 187.0
[M+Na]+ 387.142748 192.6
[M-H]- 363.146254 193.1
[M+NH4]+ 382.187353 194.5
[M+K]+ 403.116688 182.3
[M+H-H2O]+ 347.150790 178.9
[M+HCOO]- 409.151731 202.8
[M+CH3COO]- 423.167381 211.8
[M+Na-2H]- 385.128196 192.6
[M]+ 364.15298142 182.2
[M]- 364.15407858 182.2
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.