CID 131822967

Cdp-dg(i-20:0/i-24:0)

Structural Information

Molecular Formula
C56H105N3O15P2
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O
InChI
InChI=1S/C56H105N3O15P2/c1-46(2)37-33-29-25-21-17-13-9-7-5-6-8-10-16-20-24-28-32-36-40-52(61)72-48(43-69-51(60)39-35-31-27-23-19-15-12-11-14-18-22-26-30-34-38-47(3)4)44-70-75(65,66)74-76(67,68)71-45-49-53(62)54(63)55(73-49)59-42-41-50(57)58-56(59)64/h41-42,46-49,53-55,62-63H,5-40,43-45H2,1-4H3,(H,65,66)(H,67,68)(H2,57,58,64)/t48-,49-,53+,54?,55-/m1/s1
InChIKey
XKBUFMBNBHWDQJ-CKZKIYGOSA-N
Compound name
[(2R)-1-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-(18-methylnonadecanoyloxy)propan-2-yl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1121.7021 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1122.7094 331.4
[M+Na]+ 1144.6913 331.0
[M+NH4]+ 1139.7359 337.5
[M+K]+ 1160.6653 335.7
[M-H]- 1120.6948 326.2
[M+Na-2H]- 1142.6768 346.8
[M]+ 1121.7016 331.6
[M]- 1121.7026 331.6
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.