CID 255453

78115-65-8

Structural Information

Molecular Formula
C11H9N3O5
SMILES
CCOC(=O)C1=NC2=C(C=CC(=C2)[N+](=O)[O-])NC1=O
InChI
InChI=1S/C11H9N3O5/c1-2-19-11(16)9-10(15)13-7-4-3-6(14(17)18)5-8(7)12-9/h3-5H,2H2,1H3,(H,13,15)
InChIKey
RGAAOKDXIMNYAQ-UHFFFAOYSA-N
Compound name
ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

263.05423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06151 151.8
[M+Na]+ 286.04345 160.3
[M-H]- 262.04695 153.2
[M+NH4]+ 281.08805 165.3
[M+K]+ 302.01739 153.3
[M+H-H2O]+ 246.05149 148.6
[M+HCOO]- 308.05243 172.4
[M+CH3COO]- 322.06808 187.0
[M+Na-2H]- 284.02890 160.5
[M]+ 263.05368 152.2
[M]- 263.05478 152.2
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.