CID 175670819

3003864-86-3

Structural Information

Molecular Formula
C28H34FN3O11
SMILES
CC(C)C(=O)OC[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)COC(=O)C3=CN=CC=C3)OC(=O)C(C)C)OC(=O)C(C)C)F
InChI
InChI=1S/C28H34FN3O11/c1-15(2)23(34)39-13-28(29)21(42-25(36)17(5)6)20(41-24(35)16(3)4)22(43-28)31-11-9-19(33)32(27(31)38)14-40-26(37)18-8-7-10-30-12-18/h7-12,15-17,20-22H,13-14H2,1-6H3/t20-,21+,22-,28-/m1/s1
InChIKey
NQRKQWPVFDFSBT-BUUPBASBSA-N
Compound name
[3-[(2R,3R,4S,5S)-5-fluoro-3,4-bis(2-methylpropanoyloxy)-5-(2-methylpropanoyloxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

607.2177 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.22498 226.6
[M+Na]+ 630.20692 229.8
[M-H]- 606.21042 232.2
[M+NH4]+ 625.25152 226.4
[M+K]+ 646.18086 232.9
[M+H-H2O]+ 590.21496 217.1
[M+HCOO]- 652.21590 235.9
[M+CH3COO]- 666.23155 260.5
[M+Na-2H]- 628.19237 219.0
[M]+ 607.21715 236.9
[M]- 607.21825 236.9
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

No patent data available for this compound.