CID 6918086

Tei-6170

Structural Information

Molecular Formula
C23H40FN2O8P
SMILES
CCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O
InChI
InChI=1S/C23H40FN2O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-32-35(30,31)33-17-20-19(27)15-21(34-20)26-16-18(24)22(28)25-23(26)29/h16,19-21,27H,2-15,17H2,1H3,(H,30,31)(H,25,28,29)/t19-,20+,21+/m0/s1
InChIKey
IGXUBNSHRZHJRV-PWRODBHTSA-N
Compound name
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl tetradecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

522.2506 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.25788 225.5
[M+Na]+ 545.23982 227.5
[M-H]- 521.24332 222.4
[M+NH4]+ 540.28442 227.5
[M+K]+ 561.21376 224.5
[M+H-H2O]+ 505.24786 213.1
[M+HCOO]- 567.24880 240.6
[M+CH3COO]- 581.26445 238.8
[M+Na-2H]- 543.22527 219.0
[M]+ 522.25005 231.9
[M]- 522.25115 231.9
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