CID 13106328

Ethyl 6-nitro-2-oxo-1,2-dihydroquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H10N2O5
SMILES
CCOC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])NC1=O
InChI
InChI=1S/C12H10N2O5/c1-2-19-12(16)9-6-7-5-8(14(17)18)3-4-10(7)13-11(9)15/h3-6H,2H2,1H3,(H,13,15)
InChIKey
CZPQYQVFQKEIIW-UHFFFAOYSA-N
Compound name
ethyl 6-nitro-2-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.05896 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.066236 152.2
[M+Na]+ 285.048178 160.3
[M-H]- 261.051684 154.7
[M+NH4]+ 280.092783 167.1
[M+K]+ 301.022118 153.3
[M+H-H2O]+ 245.056220 149.7
[M+HCOO]- 307.057161 173.8
[M+CH3COO]- 321.072811 187.2
[M+Na-2H]- 283.033626 160.0
[M]+ 262.05841142 152.6
[M]- 262.05950858 152.6
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

patents stripe