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

1
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 150.6
[M+Na]+ 279.03359 154.9
[M-H]- 255.03709 155.9
[M+NH4]+ 274.07819 165.6
[M+K]+ 295.00753 152.7
[M+H-H2O]+ 239.04163 147.5
[M+HCOO]- 301.04257 178.3
[M+CH3COO]- 315.05822 194.2
[M+Na-2H]- 277.01904 156.2
[M]+ 256.04382 150.0
[M]- 256.04492 150.0
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