CID 3012500

Chembl177684

Structural Information

Molecular Formula
C12H12N2O5
SMILES
CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)OC
InChI
InChI=1S/C12H12N2O5/c1-7-11(12(15)19-3)14(17)10-6-8(18-2)4-5-9(10)13(7)16/h4-6H,1-3H3
InChIKey
SGKUBRJRWVVLBM-UHFFFAOYSA-N
Compound name
methyl 7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.07462 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08190 155.0
[M+Na]+ 287.06384 165.9
[M-H]- 263.06734 157.0
[M+NH4]+ 282.10844 169.7
[M+K]+ 303.03778 158.9
[M+H-H2O]+ 247.07188 152.3
[M+HCOO]- 309.07282 175.1
[M+CH3COO]- 323.08847 187.8
[M+Na-2H]- 285.04929 162.3
[M]+ 264.07407 158.7
[M]- 264.07517 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.