CID 49264

5-ethyl-5-(propoxymethyl)barbituric acid

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CCCOCC1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C10H16N2O4/c1-3-5-16-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKey
KHOJYDGIAOWDKO-UHFFFAOYSA-N
Compound name
5-ethyl-5-(propoxymethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.11101 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11829 149.8
[M+Na]+ 251.10023 157.2
[M-H]- 227.10373 147.7
[M+NH4]+ 246.14483 166.0
[M+K]+ 267.07417 154.4
[M+H-H2O]+ 211.10827 144.0
[M+HCOO]- 273.10921 165.4
[M+CH3COO]- 287.12486 184.6
[M+Na-2H]- 249.08568 153.0
[M]+ 228.11046 148.3
[M]- 228.11156 148.3
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.