CID 52929290

Pa(21:0/22:0)

Structural Information

Molecular Formula
C46H91O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C46H91O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(48)54-44(43-53-55(49,50)51)42-52-45(47)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44H,3-43H2,1-2H3,(H2,49,50,51)/t44-/m1/s1
InChIKey
KRGWSOUULNOMCY-USYZEHPZSA-N
Compound name
[(2R)-1-henicosanoyloxy-3-phosphonooxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

802.64514 Da
Monoisotopic Mass

18.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.65242 298.8
[M+Na]+ 825.63436 298.5
[M+NH4]+ 820.67896 302.5
[M+K]+ 841.60830 300.6
[M-H]- 801.63786 283.8
[M+Na-2H]- 823.61981 295.0
[M]+ 802.64459 295.6
[M]- 802.64569 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

literature stripe

Patent stripe

No patent data available for this compound.