CID 471294

[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-methoxyacetate

Structural Information

Molecular Formula
C13H16N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)COC
InChI
InChI=1S/C13H16N2O6/c1-8-5-15(13(18)14-12(8)17)10-4-3-9(21-10)6-20-11(16)7-19-2/h3-5,9-10H,6-7H2,1-2H3,(H,14,17,18)/t9-,10+/m0/s1
InChIKey
ZWRLOBZSHFQECW-VHSXEESVSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-methoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.10083 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10811 162.1
[M+Na]+ 319.09005 171.1
[M-H]- 295.09355 166.3
[M+NH4]+ 314.13465 174.6
[M+K]+ 335.06399 169.9
[M+H-H2O]+ 279.09809 154.2
[M+HCOO]- 341.09903 181.8
[M+CH3COO]- 355.11468 197.8
[M+Na-2H]- 317.07550 163.7
[M]+ 296.10028 167.3
[M]- 296.10138 167.3
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.