CID 168354694

Carbadoxaldehyde

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 149.7
[M+Na]+ 255.04887 165.3
[M+NH4]+ 250.09347 157.2
[M+K]+ 271.02281 162.5
[M-H]- 231.05237 153.9
[M+Na-2H]- 253.03432 155.8
[M]+ 232.05910 152.8
[M]- 232.06020 152.8
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.