CID 53479569

Pe(14:1(9z)/24:0)

Structural Information

Molecular Formula
C43H84NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h10,12,41H,3-9,11,13-40,44H2,1-2H3,(H,47,48)/b12-10-/t41-/m1/s1
InChIKey
IPBXKYJWPCRPLD-AFHWQMSISA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

773.59344 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.60072 288.4
[M+Na]+ 796.58266 291.3
[M+NH4]+ 791.62726 293.2
[M+K]+ 812.55660 292.3
[M-H]- 772.58616 277.5
[M+Na-2H]- 794.56811 286.9
[M]+ 773.59289 286.8
[M]- 773.59399 286.8
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.