CID 22596859

Fluorothymidine

Structural Information

Molecular Formula
C10H13FN2O5
SMILES
CC1=CN(C(=O)NC1=O)C2(CC(C(O2)CO)O)F
InChI
InChI=1S/C10H13FN2O5/c1-5-3-13(9(17)12-8(5)16)10(11)2-6(15)7(4-14)18-10/h3,6-7,14-15H,2,4H2,1H3,(H,12,16,17)
InChIKey
MKXBOPXRKXGSTI-UHFFFAOYSA-N
Compound name
1-[2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1270
Patents

260.08084 Da
Monoisotopic Mass

-0.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.