CID 52923162

Pc(20:2(11z,14z)/16:0)

Structural Information

Molecular Formula
C44H85NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16,20-21,42H,6-13,15,17-19,22-41H2,1-5H3/p+1/b16-14-,21-20-/t42-/m1/s1
InChIKey
JCABAGPMEUGRDK-UXSLIEDSSA-O
Compound name
2-[[(2R)-2-hexadecanoyloxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

786.60126 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.60854 290.2
[M+Na]+ 809.59048 292.4
[M+NH4]+ 804.63508 267.2
[M+K]+ 825.56442 297.7
[M-H]- 785.59398 284.4
[M+Na-2H]- 807.57593 277.6
[M]+ 786.60071 290.2
[M]- 786.60181 290.2
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.