CID 5313998

108341-80-6

Structural Information

Molecular Formula
C28H59NO7P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C28H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h27,30H,5-26H2,1-4H3/p+1/t27-/m1/s1
InChIKey
UATOAILWGVYRQS-HHHXNRCGSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-icosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

241
Patents

552.4029 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.41018 240.7
[M+Na]+ 575.39212 243.0
[M-H]- 551.39562 235.5
[M+NH4]+ 570.43672 244.0
[M+K]+ 591.36606 240.3
[M+H-H2O]+ 535.40016 225.3
[M+HCOO]- 597.40110 250.7
[M+CH3COO]- 611.41675 247.7
[M+Na-2H]- 573.37757 223.4
[M]+ 552.40235 237.1
[M]- 552.40345 237.1
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.