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]+ 243.097546 148.9
[M+Na]+ 265.079488 157.3
[M-H]- 241.082994 148.9
[M+NH4]+ 260.124093 163.1
[M+K]+ 281.053428 155.9
[M+H-H2O]+ 225.087530 141.4
[M+HCOO]- 287.088471 168.7
[M+CH3COO]- 301.104121 188.6
[M+Na-2H]- 263.064936 152.5
[M]+ 242.08972142 152.9
[M]- 242.09081858 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.