CID 11652319

Butyl 3-ethoxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate

Structural Information

Molecular Formula
C14H22N2O5
SMILES
CCCCOC(=O)CC(N1C=C(C(=O)NC1=O)C)OCC
InChI
InChI=1S/C14H22N2O5/c1-4-6-7-21-12(17)8-11(20-5-2)16-9-10(3)13(18)15-14(16)19/h9,11H,4-8H2,1-3H3,(H,15,18,19)
InChIKey
UASMWPRSLDDONS-UHFFFAOYSA-N
Compound name
butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.15286 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16014 166.6
[M+Na]+ 321.14208 174.2
[M-H]- 297.14558 166.3
[M+NH4]+ 316.18668 178.8
[M+K]+ 337.11602 171.9
[M+H-H2O]+ 281.15012 158.6
[M+HCOO]- 343.15106 185.0
[M+CH3COO]- 357.16671 201.8
[M+Na-2H]- 319.12753 167.5
[M]+ 298.15231 172.5
[M]- 298.15341 172.5
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.