CID 52923662

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

Structural Information

Molecular Formula
C52H97NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,50H,6-13,15,17-19,21,23-25,27,29-31,33,35-49H2,1-5H3/p+1/b16-14-,22-20-,28-26-,34-32-/t50-/m1/s1
InChIKey
WWHULVNQLSBLNN-XOANWSSKSA-O
Compound name
2-[[(2R)-2-docosanoyloxy-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

894.6952 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 895.70248 309.7
[M+Na]+ 917.68442 310.9
[M+NH4]+ 912.72902 288.7
[M+K]+ 933.65836 316.5
[M-H]- 893.68792 270.9
[M+Na-2H]- 915.66987 295.2
[M]+ 894.69465 309.2
[M]- 894.69575 309.2
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.