CID 366464

Nsc634924

Structural Information

Molecular Formula
C12H12N2O4
SMILES
CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)C
InChI
InChI=1S/C12H12N2O4/c1-7-12(8(2)15)14(17)11-6-9(18-3)4-5-10(11)13(7)16/h4-6H,1-3H3
InChIKey
YVMROIPMRPBCTR-UHFFFAOYSA-N
Compound name
1-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

248.07971 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 151.8
[M+Na]+ 271.06893 162.8
[M-H]- 247.07243 153.7
[M+NH4]+ 266.11353 167.1
[M+K]+ 287.04287 155.2
[M+H-H2O]+ 231.07697 149.3
[M+HCOO]- 293.07791 171.6
[M+CH3COO]- 307.09356 186.3
[M+Na-2H]- 269.05438 158.9
[M]+ 248.07916 154.2
[M]- 248.08026 154.2
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.