CID 11311503

(2'r)-2'-deoxy-2'-fluoro-2'-methyluridine

Structural Information

Molecular Formula
C10H13FN2O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O)F
InChI
InChI=1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8-,10-/m1/s1
InChIKey
ARKKGZQTGXJVKW-VPCXQMTMSA-N
Compound name
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

654
Patents

260.08084 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08812 151.0
[M+Na]+ 283.07006 161.6
[M-H]- 259.07356 151.8
[M+NH4]+ 278.11466 166.0
[M+K]+ 299.04400 158.7
[M+H-H2O]+ 243.07810 144.4
[M+HCOO]- 305.07904 166.8
[M+CH3COO]- 319.09469 186.4
[M+Na-2H]- 281.05551 153.5
[M]+ 260.08029 149.9
[M]- 260.08139 149.9
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

patents stripe