CID 474305

L-fddcmp-sate

Structural Information

Molecular Formula
C23H37FN3O8PS2
SMILES
CC(C)(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)OC[C@H]1CC[C@H](O1)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C23H37FN3O8PS2/c1-22(2,3)19(28)37-11-9-32-36(31,33-10-12-38-20(29)23(4,5)6)34-14-15-7-8-17(35-15)27-13-16(24)18(25)26-21(27)30/h13,15,17H,7-12,14H2,1-6H3,(H2,25,26,30)/t15-,17+/m1/s1
InChIKey
YVKZKQSZTPMRTO-WBVHZDCISA-N
Compound name
S-[2-[[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.1744 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.18168 232.7
[M+Na]+ 620.16362 233.3
[M-H]- 596.16712 232.9
[M+NH4]+ 615.20822 233.8
[M+K]+ 636.13756 232.5
[M+H-H2O]+ 580.17166 222.1
[M+HCOO]- 642.17260 239.4
[M+CH3COO]- 656.18825 254.2
[M+Na-2H]- 618.14907 229.3
[M]+ 597.17385 241.1
[M]- 597.17495 241.1
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.