CID 11644402

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

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CCOC(CC(=O)OC)N1C=CC(=O)NC1=O
InChI
InChI=1S/C10H14N2O5/c1-3-17-8(6-9(14)16-2)12-5-4-7(13)11-10(12)15/h4-5,8H,3,6H2,1-2H3,(H,11,13,15)
InChIKey
MGEXMZIIUOSORW-UHFFFAOYSA-N
Compound name
methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.09027 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 148.9
[M+Na]+ 265.07949 157.3
[M-H]- 241.08299 148.9
[M+NH4]+ 260.12409 163.1
[M+K]+ 281.05343 155.9
[M+H-H2O]+ 225.08753 141.4
[M+HCOO]- 287.08847 168.7
[M+CH3COO]- 301.10412 188.6
[M+Na-2H]- 263.06494 152.5
[M]+ 242.08972 152.9
[M]- 242.09082 152.9
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.