CID 11784626

863329-65-1

Structural Information

Molecular Formula
C24H21FN2O7
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)F
InChI
InChI=1S/C24H21FN2O7/c1-24(25)19(34-21(30)16-10-6-3-7-11-16)17(14-32-20(29)15-8-4-2-5-9-15)33-22(24)27-13-12-18(28)26-23(27)31/h2-13,17,19,22H,14H2,1H3,(H,26,28,31)/t17-,19-,22-,24-/m1/s1
InChIKey
OUDQYAYIRAUNLO-PDKZGUECSA-N
Compound name
[(2R,3R,4R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

468.13327 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.14055 208.4
[M+Na]+ 491.12249 220.3
[M+NH4]+ 486.16709 212.2
[M+K]+ 507.09643 215.8
[M-H]- 467.12599 211.5
[M+Na-2H]- 489.10794 215.2
[M]+ 468.13272 210.7
[M]- 468.13382 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe