CID 134812272

Pc(32:6(14z,17z,20z,23z,26z,29z)/22:6(4z,7z,10z,13z,16z,19z))

Structural Information

Molecular Formula
C62H101NO8P
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C62H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-54-61(64)68-58-60(59-70-72(66,67)69-57-56-63(3,4)5)71-62(65)55-53-51-49-47-45-43-41-39-36-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-27,29-30,32-33,36,39,43,45,49,51,60H,6-7,12-13,18-19,24-25,28,31,34-35,37-38,40-42,44,46-48,50,52-59H2,1-5H3/p+1/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,33-32-,39-36-,45-43-,51-49-/t60-/m1/s1
InChIKey
QQTAHBOUBRVMHX-NIBPLTJZSA-O
Compound name
2-[[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(14Z,17Z,20Z,23Z,26Z,29Z)-dotriaconta-14,17,20,23,26,29-hexaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1018.7265 Da
Monoisotopic Mass

16.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1019.7338 326.4
[M+Na]+ 1041.7157 331.2
[M-H]- 1017.7192 321.8
[M+NH4]+ 1036.7603 337.9
[M+K]+ 1057.6897 337.1
[M+H-H2O]+ 1001.7238 310.5
[M+HCOO]- 1063.7247 333.0
[M+CH3COO]- 1077.7404 324.0
[M+Na-2H]- 1039.7012 303.5
[M]+ 1018.7260 325.3
[M]- 1018.7270 325.3
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.