CID 11616178

Isobutyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxy-propanoate

Structural Information

Molecular Formula
C13H20N2O5
SMILES
CCOC(CC(=O)OCC(C)C)N1C=CC(=O)NC1=O
InChI
InChI=1S/C13H20N2O5/c1-4-19-11(7-12(17)20-8-9(2)3)15-6-5-10(16)14-13(15)18/h5-6,9,11H,4,7-8H2,1-3H3,(H,14,16,18)
InChIKey
NSEHKQYDAMOUTJ-UHFFFAOYSA-N
Compound name
2-methylpropyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.1372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14448 162.3
[M+Na]+ 307.12642 169.1
[M-H]- 283.12992 161.8
[M+NH4]+ 302.17102 174.7
[M+K]+ 323.10036 167.6
[M+H-H2O]+ 267.13446 154.4
[M+HCOO]- 329.13540 180.1
[M+CH3COO]- 343.15105 198.5
[M+Na-2H]- 305.11187 163.2
[M]+ 284.13665 166.7
[M]- 284.13775 166.7
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.