CID 127769

Ck 2289

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₂

SMILES

CCC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C15H14N4O2/c1-2-12-13(18-15(21)17-12)14(20)10-3-5-11(6-4-10)19-8-7-16-9-19/h3-9H,2H2,1H3,(H2,17,18,21)

InChIKey

FIYSLYBKJKWZMC-UHFFFAOYSA-N

Compound name

4-ethyl-5-(4-imidazol-1-ylbenzoyl)-1,3-dihydroimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 8
Patents: 282.11166 Da
Monoisotopic Mass: 1.3
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]+	283.11894	162.7
[M+Na]+	305.10088	172.7
[M-H]-	281.10438	166.5
[M+NH4]+	300.14548	175.2
[M+K]+	321.07482	166.5
[M+H-H2O]+	265.10892	153.2
[M+HCOO]-	327.10986	182.5
[M+CH3COO]-	341.12551	173.9
[M+Na-2H]-	303.08633	163.7
[M]+	282.11111	163.0
[M]-	282.11221	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe