CID 121225539

Chebi:132278

Structural Information

Molecular Formula
C26H53NO8P
SMILES
CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C26H52NO8P/c1-5-6-7-8-10-13-16-24-25(35-24)17-14-11-9-12-15-18-26(29)32-21-23(28)22-34-36(30,31)33-20-19-27(2,3)4/h23-25,28H,5-22H2,1-4H3/p+1/t23-,24-,25+/m1/s1
InChIKey
UURNKRUZAWHJOR-SDHSZQHLSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[8-[(2S,3R)-3-octyloxiran-2-yl]octanoyloxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.3509 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.35818 233.2
[M+Na]+ 561.34012 239.5
[M-H]- 537.34362 231.0
[M+NH4]+ 556.38472 239.0
[M+K]+ 577.31406 234.2
[M+H-H2O]+ 521.34816 222.5
[M+HCOO]- 583.34910 250.8
[M+CH3COO]- 597.36475 244.5
[M+Na-2H]- 559.32557 219.7
[M]+ 538.35035 237.7
[M]- 538.35145 237.7
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.