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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.082576	166.2
[M+Na]+	317.064518	176.6
[M-H]-	293.068024	172.0
[M+NH4]+	312.109123	178.4
[M+K]+	333.038458	171.2
[M+H-H2O]+	277.072560	150.3
[M+HCOO]-	339.073501	184.7
[M+CH3COO]-	353.089151	176.2
[M+Na-2H]-	315.049966	166.6
[M]+	294.07475142	160.7
[M]-	294.07584858	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe