CID 9570288

14663-27-5

Structural Information

Molecular Formula
C15H10N4O3
SMILES
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C15H10N4O3/c16-7-10-1-3-11(4-2-10)13-6-5-12(22-13)8-17-19-9-14(20)18-15(19)21/h1-6,8H,9H2,(H,18,20,21)/b17-8+
InChIKey
VYLIHXCXXMSMOH-CAOOACKPSA-N
Compound name
4-[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

294.0753 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08258 169.4
[M+Na]+ 317.06452 180.2
[M+NH4]+ 312.10912 171.7
[M+K]+ 333.03846 174.8
[M-H]- 293.06802 165.8
[M+Na-2H]- 315.04997 172.0
[M]+ 294.07475 168.8
[M]- 294.07585 168.8
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

patents stripe