CID 131822708

Cdp-dg(18:2(9z,11z)/i-12:0)

Structural Information

Molecular Formula
C42H73N3O15P2
SMILES
CCCCCC/C=C\C=C/CCCCCCCC(=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)CCCCCCCCC(C)C
InChI
InChI=1S/C42H73N3O15P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-37(46)55-30-34(58-38(47)27-24-21-18-17-19-22-25-33(2)3)31-56-61(51,52)60-62(53,54)57-32-35-39(48)40(49)41(59-35)45-29-28-36(43)44-42(45)50/h9-12,28-29,33-35,39-41,48-49H,4-8,13-27,30-32H2,1-3H3,(H,51,52)(H,53,54)(H2,43,44,50)/b10-9-,12-11-/t34-,35-,39+,40?,41-/m1/s1
InChIKey
AGPRHJMUWDCGEI-JEZDYYCXSA-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-(10-methylundecanoyloxy)propyl] (9Z,11Z)-octadeca-9,11-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

921.4517 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 922.45898 284.4
[M+Na]+ 944.44092 286.7
[M-H]- 920.44442 283.6
[M+NH4]+ 939.48552 305.7
[M+K]+ 960.41486 276.5
[M+H-H2O]+ 904.44896 267.2
[M+HCOO]- 966.44990 303.2
[M+CH3COO]- 980.46555 310.9
[M+Na-2H]- 942.42637 295.7
[M]+ 921.45115 285.2
[M]- 921.45225 285.2
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.