CID 6320224

Ethyl 7-methoxy-5,8-dinitro-3-oxo-4h-quinoxaline-2-carboxylate

Structural Information

Molecular Formula
C12H10N4O8
SMILES
CCOC(=O)C1=NC2=C(C(=CC(=C2[N+](=O)[O-])OC)[N+](=O)[O-])NC1=O
InChI
InChI=1S/C12H10N4O8/c1-3-24-12(18)9-11(17)14-7-5(15(19)20)4-6(23-2)10(16(21)22)8(7)13-9/h4H,3H2,1-2H3,(H,14,17)
InChIKey
ZBVGUWFOOKCHGH-UHFFFAOYSA-N
Compound name
ethyl 7-methoxy-5,8-dinitro-3-oxo-4H-quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.04987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05715 167.9
[M+Na]+ 361.03909 174.6
[M-H]- 337.04259 169.6
[M+NH4]+ 356.08369 176.9
[M+K]+ 377.01303 164.5
[M+H-H2O]+ 321.04713 168.4
[M+HCOO]- 383.04807 188.2
[M+CH3COO]- 397.06372 196.7
[M+Na-2H]- 359.02454 177.3
[M]+ 338.04932 168.5
[M]- 338.05042 168.5
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.