CID 168354694

Ktvqrpoybvfisq-wzufqythsa-n

Structural Information

Molecular Formula
C10H8N4O3
SMILES
C1=CC=C2C(=C1)[N+](=CC(=[N+]2[O-])/C=N\NC=O)[O-]
InChI
InChI=1S/C10H8N4O3/c15-7-12-11-5-8-6-13(16)9-3-1-2-4-10(9)14(8)17/h1-7H,(H,12,15)/b11-5-
InChIKey
KTVQRPOYBVFISQ-WZUFQYTHSA-N
Compound name
N-[(Z)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05965 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.066926 148.3
[M+Na]+ 255.048868 156.2
[M-H]- 231.052374 149.5
[M+NH4]+ 250.093473 162.2
[M+K]+ 271.022808 143.2
[M+H-H2O]+ 215.056910 149.4
[M+HCOO]- 277.057851 171.4
[M+CH3COO]- 291.073501 178.1
[M+Na-2H]- 253.034316 161.5
[M]+ 232.05910142 144.7
[M]- 232.06019858 144.7
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.