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: 13
Patents: 230.08037 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe