CID 3082164

20664-02-2

Structural Information

Molecular Formula
C40H81NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1
InChIKey
MZWGYEJOZNRLQE-KXQOOQHDSA-O
Compound name
2-[hydroxy-[(2R)-3-octadecanoyloxy-2-tetradecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

2149
Patents

734.57 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.57728 282.1
[M+Na]+ 757.55922 284.4
[M+NH4]+ 752.60382 258.7
[M+K]+ 773.53316 289.2
[M-H]- 733.56272 276.2
[M+Na-2H]- 755.54467 270.1
[M]+ 734.56945 282.0
[M]- 734.57055 282.0
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