CID 49166

Barbituric acid, 5-(2-(2-butoxyethoxy)ethyl)-5-ethyl-, sodium salt

Structural Information

Molecular Formula
C14H24N2O5
SMILES
CCCCOCCOCCC1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C14H24N2O5/c1-3-5-7-20-9-10-21-8-6-14(4-2)11(17)15-13(19)16-12(14)18/h3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKey
GXLSTOKJKGUIJT-UHFFFAOYSA-N
Compound name
5-[2-(2-butoxyethoxy)ethyl]-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16852 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17580 169.2
[M+Na]+ 323.15774 174.6
[M-H]- 299.16124 166.3
[M+NH4]+ 318.20234 182.3
[M+K]+ 339.13168 171.5
[M+H-H2O]+ 283.16578 162.4
[M+HCOO]- 345.16672 183.6
[M+CH3COO]- 359.18237 198.9
[M+Na-2H]- 321.14319 170.6
[M]+ 300.16797 170.6
[M]- 300.16907 170.6
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.