CID 52929302

Pa(22:0/18:2(9z,12z))

Structural Information

Molecular Formula
C43H81O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C43H81O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,41H,3-11,13,15-17,19-22,24-40H2,1-2H3,(H2,46,47,48)/b14-12-,23-18-/t41-/m1/s1
InChIKey
YUTXZCLVLLLZAN-DEPOTCCGSA-N
Compound name
[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

756.5669 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.57418 285.2
[M+Na]+ 779.55612 286.1
[M+NH4]+ 774.60072 289.0
[M+K]+ 795.53006 287.4
[M-H]- 755.55962 272.8
[M+Na-2H]- 777.54157 283.2
[M]+ 756.56635 282.8
[M]- 756.56745 282.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.