CID 52922716

Pc(18:2(9z,12z)/15:0)

Structural Information

Molecular Formula
C41H79NO8P
SMILES
CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C41H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h14,16,20-21,39H,6-13,15,17-19,22-38H2,1-5H3/p+1/b16-14-,21-20-/t39-/m1/s1
InChIKey
SBNDHGBVMZMSNL-UESLNCBNSA-O
Compound name
2-[hydroxy-[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

744.5543 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.56158 281.0
[M+Na]+ 767.54352 283.6
[M+NH4]+ 762.58812 257.5
[M+K]+ 783.51746 289.3
[M-H]- 743.54702 275.4
[M+Na-2H]- 765.52897 269.3
[M]+ 744.55375 281.2
[M]- 744.55485 281.2
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.