CID 131823021

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

Structural Information

Molecular Formula
C60H113N3O15P2
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C60H113N3O15P2/c1-50(2)41-37-33-29-25-21-17-13-9-5-7-11-15-19-23-27-31-35-39-43-55(64)73-47-52(76-56(65)44-40-36-32-28-24-20-16-12-8-6-10-14-18-22-26-30-34-38-42-51(3)4)48-74-79(69,70)78-80(71,72)75-49-53-57(66)58(67)59(77-53)63-46-45-54(61)62-60(63)68/h45-46,50-53,57-59,66-67H,5-44,47-49H2,1-4H3,(H,69,70)(H,71,72)(H2,61,62,68)/t52-,53-,57+,58?,59-/m1/s1
InChIKey
ZYGRRLWMPSXTOQ-SDRJCHSQSA-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-(22-methyltricosanoyloxy)propyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1177.7646 Da
Monoisotopic Mass

17.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1178.7719 351.6
[M+Na]+ 1200.7538 353.5
[M-H]- 1176.7573 349.0
[M+NH4]+ 1195.7984 363.2
[M+K]+ 1216.7278 356.9
[M+H-H2O]+ 1160.7619 335.6
[M+HCOO]- 1222.7628 348.7
[M+CH3COO]- 1236.7785 354.2
[M+Na-2H]- 1198.7393 354.7
[M]+ 1177.7641 360.8
[M]- 1177.7651 360.8
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.