CID 175906

Chembl39326

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂

SMILES

C1CCC(CC1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,16,17,18,19)

InChIKey

VCPJPYNXUNVBGW-UHFFFAOYSA-N

Compound name

5-cyclohexyl-5-phenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 258.13684 Da
Monoisotopic Mass: 3.0
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]+	259.14412	161.6
[M+Na]+	281.12606	166.3
[M-H]-	257.12956	165.1
[M+NH4]+	276.17066	177.1
[M+K]+	297.10000	160.8
[M+H-H2O]+	241.13410	152.9
[M+HCOO]-	303.13504	175.7
[M+CH3COO]-	317.15069	170.9
[M+Na-2H]-	279.11151	162.4
[M]+	258.13629	151.9
[M]-	258.13739	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe