CID 9570607

1-((5-(p-cyanophenyl)-2-furanyl)methyleneamino)-5-hydroxyhydantoin

Structural Information

Molecular Formula
C15H10N4O4
SMILES
C1=CC(=CC=C1C#N)C2=CC=C(O2)/C=N/N3C(C(=O)NC3=O)O
InChI
InChI=1S/C15H10N4O4/c16-7-9-1-3-10(4-2-9)12-6-5-11(23-12)8-17-19-14(21)13(20)18-15(19)22/h1-6,8,14,21H,(H,18,20,22)/b17-8+
InChIKey
JGHPPNAYVJKCEL-CAOOACKPSA-N
Compound name
4-[5-[(E)-(5-hydroxy-2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.0702 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07748 169.6
[M+Na]+ 333.05942 180.0
[M-H]- 309.06292 174.7
[M+NH4]+ 328.10402 180.7
[M+K]+ 349.03336 174.8
[M+H-H2O]+ 293.06746 154.2
[M+HCOO]- 355.06840 186.8
[M+CH3COO]- 369.08405 212.5
[M+Na-2H]- 331.04487 169.1
[M]+ 310.06965 164.1
[M]- 310.07075 164.1
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.