CID 52923436

Pc(21:0/22:4(7z,10z,13z,16z))

Structural Information

Molecular Formula
C51H95NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C51H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3,4)5)47-57-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,49H,6-13,15,17-19,21,23-25,27,29-31,33,35-48H2,1-5H3/p+1/b16-14-,22-20-,28-26-,34-32-/t49-/m1/s1
InChIKey
BLMQDDIKDYKGNW-LPSPOZDSSA-O
Compound name
2-[[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-henicosanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

880.6795 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 881.68678 308.8
[M+Na]+ 903.66872 310.7
[M-H]- 879.67222 301.6
[M+NH4]+ 898.71332 317.9
[M+K]+ 919.64266 315.8
[M+H-H2O]+ 863.67676 293.2
[M+HCOO]- 925.67770 313.0
[M+CH3COO]- 939.69335 306.8
[M+Na-2H]- 901.65417 285.7
[M]+ 880.67895 307.5
[M]- 880.68005 307.5
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.