CID 219572

5-phenyl-5-propylimidazolidine-2,4-dione

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CCCC1(C(=O)NC(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2/c1-2-8-12(9-6-4-3-5-7-9)10(15)13-11(16)14-12/h3-7H,2,8H2,1H3,(H2,13,14,15,16)

InChIKey

NLEOJRZVVDXEBJ-UHFFFAOYSA-N

Compound name

5-phenyl-5-propylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 10
Patents: 218.10553 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]+	219.11281	148.8
[M+Na]+	241.09475	156.7
[M-H]-	217.09825	150.3
[M+NH4]+	236.13935	166.9
[M+K]+	257.06869	151.9
[M+H-H2O]+	201.10279	141.9
[M+HCOO]-	263.10373	167.0
[M+CH3COO]-	277.11938	181.1
[M+Na-2H]-	239.08020	152.2
[M]+	218.10498	145.0
[M]-	218.10608	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe