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]+ 233.06693 148.3
[M+Na]+ 255.04887 156.2
[M-H]- 231.05237 149.5
[M+NH4]+ 250.09347 162.2
[M+K]+ 271.02281 143.2
[M+H-H2O]+ 215.05691 149.4
[M+HCOO]- 277.05785 171.4
[M+CH3COO]- 291.07350 178.1
[M+Na-2H]- 253.03432 161.5
[M]+ 232.05910 144.7
[M]- 232.06020 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.