CID 4780006

5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

Structural Information

Molecular Formula
C13H15FN2O2
SMILES
CCCCC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H15FN2O2/c1-2-3-8-13(11(17)15-12(18)16-13)9-4-6-10(14)7-5-9/h4-7H,2-3,8H2,1H3,(H2,15,16,17,18)
InChIKey
NAVKQMFSENZTKK-UHFFFAOYSA-N
Compound name
5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11176 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.119036 155.3
[M+Na]+ 273.100978 163.6
[M-H]- 249.104484 155.5
[M+NH4]+ 268.145583 172.3
[M+K]+ 289.074918 158.2
[M+H-H2O]+ 233.109020 147.5
[M+HCOO]- 295.109961 172.0
[M+CH3COO]- 309.125611 188.0
[M+Na-2H]- 271.086426 156.9
[M]+ 250.11121142 151.1
[M]- 250.11230858 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.