CID 53480015

Pe(24:0/p-18:1(11z))

Structural Information

Molecular Formula
C47H92NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h14,16,39,42,46H,3-13,15,17-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b16-14-,42-39-/t46-/m1/s1
InChIKey
PUVBEVMEGFFJNG-RWLNHGTRSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

813.66113 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 814.66841 298.1
[M+Na]+ 836.65035 301.0
[M+NH4]+ 831.69495 301.4
[M+K]+ 852.62429 302.3
[M-H]- 812.65385 284.2
[M+Na-2H]- 834.63580 295.0
[M]+ 813.66058 295.6
[M]- 813.66168 295.6
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.