CID 52924805

Pe(22:4(7z,10z,13z,16z)/14:0)

Structural Information

Molecular Formula
C41H74NO8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,39H,3-10,12,14-15,18,21,23,25-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-,24-22-/t39-/m1/s1
InChIKey
NUMLYCXHYWPWFK-SIOSMUJOSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

739.5152 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 740.52248 275.7
[M+Na]+ 762.50442 280.2
[M+NH4]+ 757.54902 280.5
[M+K]+ 778.47836 280.4
[M-H]- 738.50792 267.8
[M+Na-2H]- 760.48987 276.1
[M]+ 739.51465 275.1
[M]- 739.51575 275.1
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.