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]+ 257.113206 153.5
[M+Na]+ 279.095148 161.5
[M-H]- 255.098654 153.3
[M+NH4]+ 274.139753 167.1
[M+K]+ 295.069088 159.8
[M+H-H2O]+ 239.103190 145.8
[M+HCOO]- 301.104131 172.9
[M+CH3COO]- 315.119781 191.6
[M+Na-2H]- 277.080596 156.6
[M]+ 256.10538142 157.8
[M]- 256.10647858 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.