CID 3083511

Imepitoin

Structural Information

Molecular Formula

C₁₃H₁₄ClN₃O₂

SMILES

C1COCCN1C2=NC(=O)N(C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H14ClN3O2/c14-10-1-3-11(4-2-10)17-9-12(15-13(17)18)16-5-7-19-8-6-16/h1-4H,5-9H2

InChIKey

IQHYCZKIFIHTAI-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-5-morpholin-4-yl-4H-imidazol-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 39
References: 159
Patents: 279.07745 Da
Monoisotopic Mass: 1.2
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]+	280.08473	163.3
[M+Na]+	302.06667	171.2
[M-H]-	278.07017	169.0
[M+NH4]+	297.11127	176.0
[M+K]+	318.04061	167.2
[M+H-H2O]+	262.07471	153.3
[M+HCOO]-	324.07565	175.1
[M+CH3COO]-	338.09130	174.0
[M+Na-2H]-	300.05212	164.8
[M]+	279.07690	161.6
[M]-	279.07800	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe