CID 9568819

N,n'-desoxycarbadox

Structural Information

Molecular Formula
C11H10N4O2
SMILES
COC(=O)N/N=C/C1=NC2=CC=CC=C2N=C1
InChI
InChI=1S/C11H10N4O2/c1-17-11(16)15-13-7-8-6-12-9-4-2-3-5-10(9)14-8/h2-7H,1H3,(H,15,16)/b13-7+
InChIKey
SOEMFPLGOUBPJQ-NTUHNPAUSA-N
Compound name
methyl N-[(E)-quinoxalin-2-ylmethylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

24
Patents

230.08037 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08765 147.9
[M+Na]+ 253.06959 155.9
[M-H]- 229.07309 151.2
[M+NH4]+ 248.11419 164.3
[M+K]+ 269.04353 153.5
[M+H-H2O]+ 213.07763 139.1
[M+HCOO]- 275.07857 172.5
[M+CH3COO]- 289.09422 195.0
[M+Na-2H]- 251.05504 158.1
[M]+ 230.07982 149.7
[M]- 230.08092 149.7
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.