CID 11543635

Ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoate

Structural Information

Molecular Formula
C11H15FN2O5
SMILES
CCOC(CC(=O)OCC)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C11H15FN2O5/c1-3-18-8(5-9(15)19-4-2)14-6-7(12)10(16)13-11(14)17/h6,8H,3-5H2,1-2H3,(H,13,16,17)
InChIKey
HGNAXIRTSJNIDO-UHFFFAOYSA-N
Compound name
ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.0965 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10378 155.5
[M+Na]+ 297.08572 164.5
[M-H]- 273.08922 154.3
[M+NH4]+ 292.13032 168.6
[M+K]+ 313.05966 162.4
[M+H-H2O]+ 257.09376 147.1
[M+HCOO]- 319.09470 173.9
[M+CH3COO]- 333.11035 195.5
[M+Na-2H]- 295.07117 157.3
[M]+ 274.09595 159.1
[M]- 274.09705 159.1
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.