CID 53479166

Pc(22:1(13z)/14:0)

Structural Information

Molecular Formula
C44H87NO8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h19-20,42H,6-18,21-41H2,1-5H3/p+1/b20-19-/t42-/m1/s1
InChIKey
RSKUBXWDAIDNLE-HSEDGGQWSA-O
Compound name
2-[[(2R)-3-[(Z)-docos-13-enoyl]oxy-2-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

788.61694 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 789.62422 292.3
[M+Na]+ 811.60616 294.2
[M+NH4]+ 806.65076 269.3
[M+K]+ 827.58010 299.0
[M-H]- 787.60966 286.3
[M+Na-2H]- 809.59161 279.3
[M]+ 788.61639 292.0
[M]- 788.61749 292.0
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

patents stripe