CID 11543404

Methyl 3-ethoxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CCOC(CC(=O)OC)N1C=C(C(=O)NC1=O)C
InChI
InChI=1S/C11H16N2O5/c1-4-18-8(5-9(14)17-3)13-6-7(2)10(15)12-11(13)16/h6,8H,4-5H2,1-3H3,(H,12,15,16)
InChIKey
NMKHHRHMMCQBJZ-UHFFFAOYSA-N
Compound name
methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
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 152.9
[M+Na]+ 279.09515 161.8
[M-H]- 255.09865 153.1
[M+NH4]+ 274.13975 166.9
[M+K]+ 295.06909 160.2
[M+H-H2O]+ 239.10319 145.6
[M+HCOO]- 301.10413 172.4
[M+CH3COO]- 315.11978 192.9
[M+Na-2H]- 277.08060 155.3
[M]+ 256.10538 157.7
[M]- 256.10648 157.7
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.