CID 9576651

3-(5-nitrofurfurylideneamino)hydantoic acid

Structural Information

Molecular Formula
C8H8N4O6
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/N(CC(=O)O)C(=O)N
InChI
InChI=1S/C8H8N4O6/c9-8(15)11(4-7(13)14)10-3-5-1-2-6(18-5)12(16)17/h1-3H,4H2,(H2,9,15)(H,13,14)/b10-3+
InChIKey
URYZARAFMQWNPZ-XCVCLJGOSA-N
Compound name
2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

256.04437 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05165 152.5
[M+Na]+ 279.03359 158.3
[M+NH4]+ 274.07819 156.2
[M+K]+ 295.00753 162.2
[M-H]- 255.03709 154.2
[M+Na-2H]- 277.01904 153.6
[M]+ 256.04382 152.8
[M]- 256.04492 152.8
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

No patent data available for this compound.