CID 48762

Barbituric acid, 5-ethyl-5-isopentyl-1-phenyl-

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)CCC(C)C
InChI
InChI=1S/C17H22N2O3/c1-4-17(11-10-12(2)3)14(20)18-16(22)19(15(17)21)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,22)
InChIKey
YEAUIGJGKUKBDE-UHFFFAOYSA-N
Compound name
5-ethyl-5-(3-methylbutyl)-1-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

302.16306 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 173.0
[M+Na]+ 325.15228 184.5
[M+NH4]+ 320.19688 179.7
[M+K]+ 341.12622 176.8
[M-H]- 301.15578 174.0
[M+Na-2H]- 323.13773 178.4
[M]+ 302.16251 174.8
[M]- 302.16361 174.8
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

No patent data available for this compound.