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

1
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

patents stripe