CID 14918913

5'-deoxy-5-fluorouridine 2',3'-diacetate

Structural Information

Molecular Formula
C13H15FN2O7
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)OC(=O)C)OC(=O)C
InChI
InChI=1S/C13H15FN2O7/c1-5-9(22-6(2)17)10(23-7(3)18)12(21-5)16-4-8(14)11(19)15-13(16)20/h4-5,9-10,12H,1-3H3,(H,15,19,20)/t5-,9-,10-,12-/m1/s1
InChIKey
ONKMZOUZXRFSQO-RPULLILYSA-N
Compound name
[(2R,3R,4R,5R)-4-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

330.08633 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09361 166.3
[M+Na]+ 353.07555 176.0
[M-H]- 329.07905 169.7
[M+NH4]+ 348.12015 177.7
[M+K]+ 369.04949 175.2
[M+H-H2O]+ 313.08359 158.4
[M+HCOO]- 375.08453 182.8
[M+CH3COO]- 389.10018 205.6
[M+Na-2H]- 351.06100 164.3
[M]+ 330.08578 170.0
[M]- 330.08688 170.0
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