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
3
Annotation Hits

6
References

32
Patents

230.08037 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.087646 147.9
[M+Na]+ 253.069588 155.9
[M-H]- 229.073094 151.2
[M+NH4]+ 248.114193 164.3
[M+K]+ 269.043528 153.5
[M+H-H2O]+ 213.077630 139.1
[M+HCOO]- 275.078571 172.5
[M+CH3COO]- 289.094221 195.0
[M+Na-2H]- 251.055036 158.1
[M]+ 230.07982142 149.7
[M]- 230.08091858 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

literature stripe

Patent stripe

patents stripe