CID 277170

5-cyclobutyl-5-phenylhydantoin

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

C1CC(C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C13H14N2O2/c16-11-13(10-7-4-8-10,15-12(17)14-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,14,15,16,17)

InChIKey

YFMSPNSDLBGLRF-UHFFFAOYSA-N

Compound name

5-cyclobutyl-5-phenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 230.10553 Da
Monoisotopic Mass: 1.9
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]+	231.112806	150.0
[M+Na]+	253.094748	155.5
[M-H]-	229.098254	154.2
[M+NH4]+	248.139353	160.7
[M+K]+	269.068688	153.6
[M+H-H2O]+	213.102790	137.8
[M+HCOO]-	275.103731	166.1
[M+CH3COO]-	289.119381	185.9
[M+Na-2H]-	251.080196	152.2
[M]+	230.10498142	152.5
[M]-	230.10607858	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe