CID 9570607

Hydantoin, 1-((5-(p-cyanophenyl)-2-furanyl)methyleneamino)-5-hydroxy-

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]+ 311.077476 169.6
[M+Na]+ 333.059418 180.0
[M-H]- 309.062924 174.7
[M+NH4]+ 328.104023 180.7
[M+K]+ 349.033358 174.8
[M+H-H2O]+ 293.067460 154.2
[M+HCOO]- 355.068401 186.8
[M+CH3COO]- 369.084051 212.5
[M+Na-2H]- 331.044866 169.1
[M]+ 310.06965142 164.1
[M]- 310.07074858 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.