CID 135511839

Carbadox

Structural Information

Molecular Formula
C11H10N4O4
SMILES
COC(=O)N/N=C/C1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-]
InChI
InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)/b12-6+
InChIKey
OVGGLBAWFMIPPY-WUXMJOGZSA-N
Compound name
methyl N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

236
References

3035
Patents

262.0702 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07748 157.2
[M+Na]+ 285.05942 171.9
[M+NH4]+ 280.10402 163.8
[M+K]+ 301.03336 170.2
[M-H]- 261.06292 160.7
[M+Na-2H]- 283.04487 162.3
[M]+ 262.06965 160.0
[M]- 262.07075 160.0
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

patents stripe