CID 9577282

Afmai

Structural Information

Molecular Formula

C₈H₈N₄O₃

SMILES

C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)N

InChI

InChI=1S/C8H8N4O3/c9-6-2-1-5(15-6)3-10-12-4-7(13)11-8(12)14/h1-3H,4,9H2,(H,11,13,14)/b10-3+

InChIKey

KLJOOBXQOIHZQM-XCVCLJGOSA-N

Compound name

1-[(E)-(5-aminofuran-2-yl)methylideneamino]imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2
Patents: 208.05965 Da
Monoisotopic Mass: -1.0
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]+	209.06693	141.6
[M+Na]+	231.04887	150.1
[M-H]-	207.05237	146.7
[M+NH4]+	226.09347	159.1
[M+K]+	247.02281	148.6
[M+H-H2O]+	191.05691	134.1
[M+HCOO]-	253.05785	165.6
[M+CH3COO]-	267.07350	186.4
[M+Na-2H]-	229.03432	144.5
[M]+	208.05910	139.7
[M]-	208.06020	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe