CID 49768515

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

Structural Information

Molecular Formula
C25H41FN2O6
SMILES
CCCCCCCCCCCCC(C(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)F)OC
InChI
InChI=1S/C25H41FN2O6/c1-4-5-6-7-8-9-10-11-12-13-14-20(32-3)24(30)33-17-21-19(26)15-22(34-21)28-16-18(2)23(29)27-25(28)31/h16,19-22H,4-15,17H2,1-3H3,(H,27,29,31)/t19-,20?,21+,22+/m0/s1
InChIKey
HECHYXSPRINXGW-XWDTXVGXSA-N
Compound name
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methoxytetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.29486 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.30214 219.9
[M+Na]+ 507.28408 223.1
[M-H]- 483.28758 220.5
[M+NH4]+ 502.32868 224.6
[M+K]+ 523.25802 219.6
[M+H-H2O]+ 467.29212 209.4
[M+HCOO]- 529.29306 231.9
[M+CH3COO]- 543.30871 238.2
[M+Na-2H]- 505.26953 212.2
[M]+ 484.29431 226.5
[M]- 484.29541 226.5
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.