CID 11594062

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

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CCOC(CC(=O)OCC)N1C=CC(=O)NC1=O
InChI
InChI=1S/C11H16N2O5/c1-3-17-9(7-10(15)18-4-2)13-6-5-8(14)12-11(13)16/h5-6,9H,3-4,7H2,1-2H3,(H,12,14,16)
InChIKey
SPSAKDJYRHRARA-UHFFFAOYSA-N
Compound name
ethyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.10593 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 153.5
[M+Na]+ 279.09515 161.5
[M-H]- 255.09865 153.3
[M+NH4]+ 274.13975 167.1
[M+K]+ 295.06909 159.8
[M+H-H2O]+ 239.10319 145.8
[M+HCOO]- 301.10413 172.9
[M+CH3COO]- 315.11978 191.6
[M+Na-2H]- 277.08060 156.6
[M]+ 256.10538 157.8
[M]- 256.10648 157.8
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.