CID 403952

Nsc719718

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)OC
InChI
InChI=1S/C13H14N2O4/c1-7-5-10-11(6-8(7)2)15(18)12(13(16)19-4)9(3)14(10)17/h5-6H,1-4H3
InChIKey
XTYCQNLUNFQSOO-UHFFFAOYSA-N
Compound name
methyl 3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

262.09537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 156.3
[M+Na]+ 285.08459 167.9
[M-H]- 261.08809 158.5
[M+NH4]+ 280.12919 171.5
[M+K]+ 301.05853 160.1
[M+H-H2O]+ 245.09263 153.9
[M+HCOO]- 307.09357 175.8
[M+CH3COO]- 321.10922 189.9
[M+Na-2H]- 283.07004 162.3
[M]+ 262.09482 159.4
[M]- 262.09592 159.4
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.