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]+ 608.224976 226.6
[M+Na]+ 630.206918 229.8
[M-H]- 606.210424 232.2
[M+NH4]+ 625.251523 226.4
[M+K]+ 646.180858 232.9
[M+H-H2O]+ 590.214960 217.1
[M+HCOO]- 652.215901 235.9
[M+CH3COO]- 666.231551 260.5
[M+Na-2H]- 628.192366 219.0
[M]+ 607.21715142 236.9
[M]- 607.21824858 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.