CID 135483915

Nsc621496

Structural Information

Molecular Formula
C15H12N4O3
SMILES
C1=CC=C(C=C1)NC(=O)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-]
InChI
InChI=1S/C15H12N4O3/c16-14-13(15(20)17-10-6-2-1-3-7-10)18(21)11-8-4-5-9-12(11)19(14)22/h1-9H,16H2,(H,17,20)
InChIKey
YGGHTARZSGUZMI-UHFFFAOYSA-N
Compound name
3-amino-1,4-dioxido-N-phenylquinoxaline-1,4-diium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09094 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09822 164.9
[M+Na]+ 319.08016 171.1
[M-H]- 295.08366 167.3
[M+NH4]+ 314.12476 174.8
[M+K]+ 335.05410 156.2
[M+H-H2O]+ 279.08820 164.6
[M+HCOO]- 341.08914 184.2
[M+CH3COO]- 355.10479 188.4
[M+Na-2H]- 317.06561 175.1
[M]+ 296.09039 158.2
[M]- 296.09149 158.2
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.