CID 27360

Barbituric acid, 5,5-diethyl-1-pentyl-

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CCCCCN1C(=O)C(C(=O)NC1=O)(CC)CC
InChI
InChI=1S/C13H22N2O3/c1-4-7-8-9-15-11(17)13(5-2,6-3)10(16)14-12(15)18/h4-9H2,1-3H3,(H,14,16,18)
InChIKey
ZFAYOFSMNONQIN-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-pentyl-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 158.3
[M+Na]+ 277.152258 165.9
[M-H]- 253.155764 157.5
[M+NH4]+ 272.196863 174.6
[M+K]+ 293.126198 162.7
[M+H-H2O]+ 237.160300 152.2
[M+HCOO]- 299.161241 174.2
[M+CH3COO]- 313.176891 195.2
[M+Na-2H]- 275.137706 159.7
[M]+ 254.16249142 158.7
[M]- 254.16358858 158.7
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.