CID 52923947

Pc(p-18:0/18:3(6z,9z,12z))

Structural Information

Molecular Formula
C44H83NO7P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,36,39,43H,6-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/p+1/b17-15-,23-21-,29-27-,39-36-/t43-/m1/s1
InChIKey
QQZAQKGMSREYHF-KDEBBMLKSA-O
Compound name
2-[hydroxy-[(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-octadec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

768.5907 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.59798 287.0
[M+Na]+ 791.57992 289.2
[M+NH4]+ 786.62452 260.8
[M+K]+ 807.55386 295.0
[M-H]- 767.58342 281.0
[M+Na-2H]- 789.56537 274.5
[M]+ 768.59015 286.8
[M]- 768.59125 286.8
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.