CID 499306

Nsc669258

Structural Information

Molecular Formula
C25H47N3O10P2
SMILES
CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H](C[C@H](O1)N2C=CC(=NC2=O)N)O
InChI
InChI=1S/C25H47N3O10P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-35-39(31,32)38-40(33,34)36-20-22-21(29)19-24(37-22)28-17-16-23(26)27-25(28)30/h16-17,21-22,24,29H,2-15,18-20H2,1H3,(H,31,32)(H,33,34)(H2,26,27,30)/t21-,22+,24+/m1/s1
InChIKey
WWQHVSUMZZPDGQ-GPXNEJASSA-N
Compound name
[[(2S,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hexadecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

611.2737 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.28098 223.3
[M+Na]+ 634.26292 231.7
[M-H]- 610.26642 222.5
[M+NH4]+ 629.30752 225.9
[M+K]+ 650.23686 219.2
[M+H-H2O]+ 594.27096 230.7
[M+HCOO]- 656.27190 247.8
[M+CH3COO]- 670.28755 257.6
[M+Na-2H]- 632.24837 239.9
[M]+ 611.27315 219.6
[M]- 611.27425 219.6
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.