CID 489625

Nsc701596

Structural Information

Molecular Formula
C31H56FN2O9P
SMILES
CCCCCCCCCCCCCCCCCCOC(CO)COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)F
InChI
InChI=1S/C31H56FN2O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-40-26(22-35)23-41-44(38,39)42-24-28-27(32)20-29(43-28)34-21-25(2)30(36)33-31(34)37/h21,26-29,35H,3-20,22-24H2,1-2H3,(H,38,39)(H,33,36,37)/t26?,27-,28+,29+/m0/s1
InChIKey
RXAZGMPIOSAAGU-WGAJCZKHSA-N
Compound name
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (3-hydroxy-2-octadecoxypropyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

650.3707 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.37798 260.6
[M+Na]+ 673.35992 245.3
[M-H]- 649.36342 232.1
[M+NH4]+ 668.40452 240.7
[M+K]+ 689.33386 255.3
[M+H-H2O]+ 633.36796 246.9
[M+HCOO]- 695.36890 258.7
[M+CH3COO]- 709.38455 264.4
[M+Na-2H]- 671.34537 250.0
[M]+ 650.37015 235.1
[M]- 650.37125 235.1
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.