CID 3868221

5-butyl-5-phenylimidazolidine-2,4-dione

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCCCC1(C(=O)NC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O2/c1-2-3-9-13(10-7-5-4-6-8-10)11(16)14-12(17)15-13/h4-8H,2-3,9H2,1H3,(H2,14,15,16,17)
InChIKey
XNBWIJWUENNNSW-UHFFFAOYSA-N
Compound name
5-butyl-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 153.2
[M+Na]+ 255.11041 160.6
[M-H]- 231.11391 154.5
[M+NH4]+ 250.15501 170.7
[M+K]+ 271.08435 155.6
[M+H-H2O]+ 215.11845 146.1
[M+HCOO]- 277.11939 171.1
[M+CH3COO]- 291.13504 184.1
[M+Na-2H]- 253.09586 156.1
[M]+ 232.12064 149.8
[M]- 232.12174 149.8
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