CID 497300

19420-57-6

Structural Information

Molecular Formula
C26H55NO7P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/p+1/t25-/m1/s1
InChIKey
IHNKQIMGVNPMTC-RUZDIDTESA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

32
References

1444
Patents

524.37164 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.37892 234.8
[M+Na]+ 547.36086 239.1
[M+NH4]+ 542.40546 207.8
[M+K]+ 563.33480 245.0
[M-H]- 523.36436 229.5
[M+Na-2H]- 545.34631 227.2
[M]+ 524.37109 235.6
[M]- 524.37219 235.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe