CID 25223702

Phospholipids egg

Structural Information

Molecular Formula
C40H81NO8PS2
SMILES
CCCCCCCCCCCCCCSCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CSCCCCCCCCCCCCCC
InChI
InChI=1S/C40H80NO8PS2/c1-6-8-10-12-14-16-18-20-22-24-26-28-32-51-36-39(42)46-34-38(35-48-50(44,45)47-31-30-41(3,4)5)49-40(43)37-52-33-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1
InChIKey
ZZWQHNRGJQENEP-KXQOOQHDSA-O
Compound name
2-[[(2R)-2,3-bis[(2-tetradecylsulfanylacetyl)oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

89
Patents

798.5141 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 799.52138 284.6
[M+Na]+ 821.50332 286.4
[M+NH4]+ 816.54792 280.9
[M+K]+ 837.47726 290.7
[M-H]- 797.50682 278.8
[M+Na-2H]- 819.48877 272.3
[M]+ 798.51355 284.3
[M]- 798.51465 284.3
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