CID 473278

1-(2-deoxy-2,2-difluoro-.beta.-l-erythro-pentofuranos-1-yl)thymidine

Structural Information

Molecular Formula
C10H12F2N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C([C@H]([C@@H](O2)CO)O)(F)F
InChI
InChI=1S/C10H12F2N2O5/c1-4-2-14(9(18)13-7(4)17)8-10(11,12)6(16)5(3-15)19-8/h2,5-6,8,15-16H,3H2,1H3,(H,13,17,18)/t5-,6-,8-/m0/s1
InChIKey
FKWSSJHRJXJIMZ-HAFWLYHUSA-N
Compound name
1-[(2S,4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.07144 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07872 153.3
[M+Na]+ 301.06066 164.8
[M-H]- 277.06416 153.1
[M+NH4]+ 296.10526 167.8
[M+K]+ 317.03460 161.5
[M+H-H2O]+ 261.06870 146.0
[M+HCOO]- 323.06964 168.0
[M+CH3COO]- 337.08529 190.5
[M+Na-2H]- 299.04611 154.6
[M]+ 278.07089 151.5
[M]- 278.07199 151.5
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

No patent data available for this compound.