CID 5313843

85966-90-1

Structural Information

Molecular Formula
C28H57NO7P
SMILES
CCCCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C28H56NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-28(36-27(2)30)26-35-37(31,32)34-24-22-29(3,4)5/h13-14,28H,6-12,15-26H2,1-5H3/p+1/b14-13-/t28-/m1/s1
InChIKey
ZBOQHUSCQCEBGK-JLRCLJKCSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-[(Z)-octadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

41
Patents

550.38727 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.39455 241.0
[M+Na]+ 573.37649 245.4
[M+NH4]+ 568.42109 248.1
[M+K]+ 589.35043 251.5
[M-H]- 549.37999 235.8
[M+Na-2H]- 571.36194 233.0
[M]+ 550.38672 241.9
[M]- 550.38782 241.9
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