CID 16728579

[(2s,5r)-5-(2,4-dioxopyrimidin-1-yl)-3-(3-methoxyphenyl)-2,5-dihydrofuran-2-yl]methyl acetate

Structural Information

Molecular Formula
C18H18N2O6
SMILES
CC(=O)OC[C@@H]1C(=C[C@@H](O1)N2C=CC(=O)NC2=O)C3=CC(=CC=C3)OC
InChI
InChI=1S/C18H18N2O6/c1-11(21)25-10-15-14(12-4-3-5-13(8-12)24-2)9-17(26-15)20-7-6-16(22)19-18(20)23/h3-9,15,17H,10H2,1-2H3,(H,19,22,23)/t15-,17-/m1/s1
InChIKey
NJEGEUNCBJASPY-NVXWUHKLSA-N
Compound name
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(3-methoxyphenyl)-2,5-dihydrofuran-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.1165 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12378 179.7
[M+Na]+ 381.10572 188.6
[M-H]- 357.10922 187.3
[M+NH4]+ 376.15032 189.3
[M+K]+ 397.07966 185.9
[M+H-H2O]+ 341.11376 170.3
[M+HCOO]- 403.11470 198.9
[M+CH3COO]- 417.13035 210.2
[M+Na-2H]- 379.09117 180.1
[M]+ 358.11595 184.4
[M]- 358.11705 184.4
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.