CID 131822995

Cdp-dg(i-22:0/i-15:0)

Structural Information

Molecular Formula
C49H91N3O15P2
SMILES
CC(C)CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C49H91N3O15P2/c1-39(2)30-26-22-18-14-11-9-7-5-6-8-10-12-16-20-24-28-32-44(53)62-36-41(65-45(54)33-29-25-21-17-13-15-19-23-27-31-40(3)4)37-63-68(58,59)67-69(60,61)64-38-42-46(55)47(56)48(66-42)52-35-34-43(50)51-49(52)57/h34-35,39-42,46-48,55-56H,5-33,36-38H2,1-4H3,(H,58,59)(H,60,61)(H2,50,51,57)/t41-,42-,46+,47?,48-/m1/s1
InChIKey
YTKZSWVPSLVIHG-BGQBHRBESA-N
Compound name
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(13-methyltetradecanoyloxy)propyl] 20-methylhenicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1023.5925 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1024.5998 317.8
[M+Na]+ 1046.5817 311.7
[M+NH4]+ 1041.6263 317.7
[M+K]+ 1062.5557 315.1
[M-H]- 1022.5852 308.4
[M+Na-2H]- 1044.5672 324.7
[M]+ 1023.5920 312.1
[M]- 1023.5930 312.1
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.