CID 15940294

3-(2-fluoroethyl)thymidine

Structural Information

Molecular Formula
C12H17FN2O5
SMILES
CC1=CN(C(=O)N(C1=O)CCF)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H17FN2O5/c1-7-5-15(10-4-8(17)9(6-16)20-10)12(19)14(3-2-13)11(7)18/h5,8-10,16-17H,2-4,6H2,1H3/t8-,9+,10+/m0/s1
InChIKey
RVLQFYYBTRTWOH-IVZWLZJFSA-N
Compound name
3-(2-fluoroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

288.11215 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11943 161.1
[M+Na]+ 311.10137 171.2
[M-H]- 287.10487 163.0
[M+NH4]+ 306.14597 173.9
[M+K]+ 327.07531 168.4
[M+H-H2O]+ 271.10941 153.2
[M+HCOO]- 333.11035 177.6
[M+CH3COO]- 347.12600 196.4
[M+Na-2H]- 309.08682 160.8
[M]+ 288.11160 162.5
[M]- 288.11270 162.5
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.