CID 131801676

Pc(p-18:1(11z)/p-18:1(9z))

Structural Information

Molecular Formula
C44H85NO6P
SMILES
CCCCCCCC/C=C\CCCCCC/C=C\O[C@H](CO/C=C\CCCCCCCC/C=C\CCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C44H84NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-42-44(43-51-52(46,47)50-41-38-45(3,4)5)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,21,23,36-37,39-40,44H,6-15,17,19-20,22,24-35,38,41-43H2,1-5H3/p+1/b18-16-,23-21-,39-36-,40-37-/t44-/m1/s1
InChIKey
IGBGWQZLCURPQD-JNWNPKLHSA-O
Compound name
2-[hydroxy-[(2R)-2-[(1Z,9Z)-octadeca-1,9-dienoxy]-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

754.61145 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 755.61873 287.9
[M+Na]+ 777.60067 289.7
[M+NH4]+ 772.64527 258.5
[M+K]+ 793.57461 295.0
[M-H]- 753.60417 281.4
[M+Na-2H]- 775.58612 275.1
[M]+ 754.61090 287.4
[M]- 754.61200 287.4
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.