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]+ 365.16081 187.0
[M+Na]+ 387.14275 192.6
[M-H]- 363.14625 193.1
[M+NH4]+ 382.18735 194.5
[M+K]+ 403.11669 182.3
[M+H-H2O]+ 347.15079 178.9
[M+HCOO]- 409.15173 202.8
[M+CH3COO]- 423.16738 211.8
[M+Na-2H]- 385.12820 192.6
[M]+ 364.15298 182.2
[M]- 364.15408 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.