CID 52923074

Pc(20:0/19:0)

Structural Information

Molecular Formula
C47H95NO8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C47H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/p+1/t45-/m1/s1
InChIKey
UEDLBEQKXBCDAZ-WBVITSLISA-O
Compound name
2-[hydroxy-[(2R)-3-icosanoyloxy-2-nonadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

832.6795 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 833.68678 305.3
[M+Na]+ 855.66872 305.5
[M-H]- 831.67222 296.4
[M+NH4]+ 850.71332 313.2
[M+K]+ 871.64266 310.8
[M+H-H2O]+ 815.67676 289.9
[M+HCOO]- 877.67770 307.7
[M+CH3COO]- 891.69335 301.9
[M+Na-2H]- 853.65417 281.6
[M]+ 832.67895 304.3
[M]- 832.68005 304.3
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

No patent data available for this compound.