CID 18622

Doxenitoin

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

C1NC(=O)C(N1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H14N2O/c18-14-15(17-11-16-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,17H,11H2,(H,16,18)

InChIKey

FEJIIZAOQRTGPC-UHFFFAOYSA-N

Compound name

5,5-diphenylimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 686
Patents: 238.11061 Da
Monoisotopic Mass: 2.2
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]+	239.117886	154.5
[M+Na]+	261.099828	161.3
[M-H]-	237.103334	158.9
[M+NH4]+	256.144433	171.1
[M+K]+	277.073768	155.1
[M+H-H2O]+	221.107870	145.8
[M+HCOO]-	283.108811	172.8
[M+CH3COO]-	297.124461	165.4
[M+Na-2H]-	259.085276	159.1
[M]+	238.11006142	148.1
[M]-	238.11115858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe