CID 499307

Nsc669259

Structural Information

Molecular Formula
C21H39N3O10P2
SMILES
CCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H](C[C@H](O1)N2C=CC(=NC2=O)N)O
InChI
InChI=1S/C21H39N3O10P2/c1-2-3-4-5-6-7-8-9-10-11-14-31-35(27,28)34-36(29,30)32-16-18-17(25)15-20(33-18)24-13-12-19(22)23-21(24)26/h12-13,17-18,20,25H,2-11,14-16H2,1H3,(H,27,28)(H,29,30)(H2,22,23,26)/t17-,18+,20+/m1/s1
InChIKey
CUNOQBJBYHBNMP-HBFSDRIKSA-N
Compound name
[[(2S,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dodecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.21106 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.21834 228.2
[M+Na]+ 578.20028 227.1
[M-H]- 554.20378 224.8
[M+NH4]+ 573.24488 211.8
[M+K]+ 594.17422 227.9
[M+H-H2O]+ 538.20832 214.3
[M+HCOO]- 600.20926 235.3
[M+CH3COO]- 614.22491 246.4
[M+Na-2H]- 576.18573 224.5
[M]+ 555.21051 235.0
[M]- 555.21161 235.0
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.