CID 52923588

Pc(22:2(13z,16z)/20:1(11z))

Structural Information

Molecular Formula
C50H95NO8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,48H,6-13,15,17-19,24-47H2,1-5H3/p+1/b16-14-,22-20-,23-21-/t48-/m1/s1
InChIKey
MMZKMFCUJJBWFH-HKLCVFKESA-O
Compound name
2-[[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-[(Z)-icos-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

868.6795 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 869.68678 306.0
[M+Na]+ 891.66872 307.3
[M+NH4]+ 886.71332 284.3
[M+K]+ 907.64266 312.5
[M-H]- 867.67222 266.3
[M+Na-2H]- 889.65417 291.7
[M]+ 868.67895 305.5
[M]- 868.68005 305.5
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.