CID 16728578

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

Structural Information

Molecular Formula
C17H15FN2O5
SMILES
CC(=O)OC[C@@H]1C(=C[C@@H](O1)N2C=CC(=O)NC2=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O5/c1-10(21)24-9-14-13(11-2-4-12(18)5-3-11)8-16(25-14)20-7-6-15(22)19-17(20)23/h2-8,14,16H,9H2,1H3,(H,19,22,23)/t14-,16-/m1/s1
InChIKey
GAGGOYRNXCSIOC-GDBMZVCRSA-N
Compound name
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-(4-fluorophenyl)-2,5-dihydrofuran-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.0965 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10378 175.8
[M+Na]+ 369.08572 185.5
[M-H]- 345.08922 182.2
[M+NH4]+ 364.13032 186.0
[M+K]+ 385.05966 181.8
[M+H-H2O]+ 329.09376 165.8
[M+HCOO]- 391.09470 194.1
[M+CH3COO]- 405.11035 207.6
[M+Na-2H]- 367.07117 175.9
[M]+ 346.09595 177.7
[M]- 346.09705 177.7
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.