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

1
Patents

208.05965 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.066926 141.6
[M+Na]+ 231.048868 150.1
[M-H]- 207.052374 146.7
[M+NH4]+ 226.093473 159.1
[M+K]+ 247.022808 148.6
[M+H-H2O]+ 191.056910 134.1
[M+HCOO]- 253.057851 165.6
[M+CH3COO]- 267.073501 186.4
[M+Na-2H]- 229.034316 144.5
[M]+ 208.05910142 139.7
[M]- 208.06019858 139.7
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