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

4
Patents

230.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 150.0
[M+Na]+ 253.09475 155.5
[M-H]- 229.09825 154.2
[M+NH4]+ 248.13935 160.7
[M+K]+ 269.06869 153.6
[M+H-H2O]+ 213.10279 137.8
[M+HCOO]- 275.10373 166.1
[M+CH3COO]- 289.11938 185.9
[M+Na-2H]- 251.08020 152.2
[M]+ 230.10498 152.5
[M]- 230.10608 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe