CID 49768514

3'-fluoro-2',3'-dideoxy-5'-o-(tetradecyl)thymidine

Structural Information

Molecular Formula
C24H41FN2O4
SMILES
CCCCCCCCCCCCCCOC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)F
InChI
InChI=1S/C24H41FN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-30-18-21-20(25)16-22(31-21)27-17-19(2)23(28)26-24(27)29/h17,20-22H,3-16,18H2,1-2H3,(H,26,28,29)/t20-,21+,22+/m0/s1
InChIKey
UHFDERTZZWOWEN-BHDDXSALSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(tetradecoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.30502 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.31230 211.8
[M+Na]+ 463.29424 216.1
[M-H]- 439.29774 212.2
[M+NH4]+ 458.33884 218.7
[M+K]+ 479.26818 210.9
[M+H-H2O]+ 423.30228 201.1
[M+HCOO]- 485.30322 225.5
[M+CH3COO]- 499.31887 230.6
[M+Na-2H]- 461.27969 206.2
[M]+ 440.30447 217.2
[M]- 440.30557 217.2
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.