CID 48430

Barbituric acid, 5,5-diethyl-1-(2,2-dimethylpropyl)-

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(C)(C)C)CC
InChI
InChI=1S/C13H22N2O3/c1-6-13(7-2)9(16)14-11(18)15(10(13)17)8-12(3,4)5/h6-8H2,1-5H3,(H,14,16,18)
InChIKey
RDLPMJMGNCLUFI-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16304 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.170316 158.4
[M+Na]+ 277.152258 166.5
[M-H]- 253.155764 158.1
[M+NH4]+ 272.196863 175.0
[M+K]+ 293.126198 163.9
[M+H-H2O]+ 237.160300 153.3
[M+HCOO]- 299.161241 172.9
[M+CH3COO]- 313.176891 194.9
[M+Na-2H]- 275.137706 161.0
[M]+ 254.16249142 158.4
[M]- 254.16358858 158.4
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.