CID 52929113

Pa(20:0/20:3(8z,11z,14z))

Structural Information

Molecular Formula
C43H79O8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C43H79O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,41H,3-11,13,15-17,19,21-23,25,27-40H2,1-2H3,(H2,46,47,48)/b14-12-,20-18-,26-24-/t41-/m1/s1
InChIKey
OGZCXFGNZTZLAY-BOKWQNBYSA-N
Compound name
[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-phosphonooxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

754.5513 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 755.55858 283.2
[M+Na]+ 777.54052 284.5
[M+NH4]+ 772.58512 286.9
[M+K]+ 793.51446 285.7
[M-H]- 753.54402 271.5
[M+Na-2H]- 775.52597 281.6
[M]+ 754.55075 281.1
[M]- 754.55185 281.1
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.