CID 53479548

Pc(24:1(15z)/p-18:1(11z))

Structural Information

Molecular Formula
C50H97NO7P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C50H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-59(53,54)57-46-44-51(3,4)5)55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,42,45,49H,6-16,18,21,23-41,43-44,46-48H2,1-5H3/p+1/b19-17-,22-20-,45-42-
InChIKey
XUCRMKOOPPYQFN-JFKFTMGCSA-O
Compound name
2-[hydroxy-[2-[(1Z,11Z)-octadeca-1,11-dienoxy]-3-[(Z)-tetracos-15-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

854.70026 Da
Monoisotopic Mass

17.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 855.70754 307.0
[M+Na]+ 877.68948 307.8
[M+NH4]+ 872.73408 281.7
[M+K]+ 893.66342 312.5
[M-H]- 853.69298 300.3
[M+Na-2H]- 875.67493 292.3
[M]+ 854.69971 306.0
[M]- 854.70081 306.0
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

No patent data available for this compound.