CID 499308

Nsc669260

Structural Information

Molecular Formula
C25H47N3O11P2
SMILES
CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@@H]([C@H](O1)N2C=CC(=NC2=O)N)O)O
InChI
InChI=1S/C25H47N3O11P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36-40(32,33)39-41(34,35)37-19-20-22(29)23(30)24(38-20)28-17-16-21(26)27-25(28)31/h16-17,20,22-24,29-30H,2-15,18-19H2,1H3,(H,32,33)(H,34,35)(H2,26,27,31)/t20-,22-,23-,24-/m0/s1
InChIKey
WFBXNSKPUCPBRG-BIHRQFPBSA-N
Compound name
[[(2S,3R,4S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hexadecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

627.26855 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.27583 226.6
[M+Na]+ 650.25777 233.3
[M-H]- 626.26127 226.4
[M+NH4]+ 645.30237 227.8
[M+K]+ 666.23171 221.2
[M+H-H2O]+ 610.26581 210.7
[M+HCOO]- 672.26675 249.3
[M+CH3COO]- 686.28240 259.5
[M+Na-2H]- 648.24322 207.2
[M]+ 627.26800 222.3
[M]- 627.26910 222.3
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.