CID 52929284

Pa(21:0/20:0)

Structural Information

Molecular Formula
C44H87O8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H87O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-43(45)50-40-42(41-51-53(47,48)49)52-44(46)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h42H,3-41H2,1-2H3,(H2,47,48,49)/t42-/m1/s1
InChIKey
HXZSBPMDJCJPRV-HUESYALOSA-N
Compound name
[(2R)-2-icosanoyloxy-3-phosphonooxypropyl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

774.61383 Da
Monoisotopic Mass

17.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.62111 292.5
[M+Na]+ 797.60305 292.2
[M+NH4]+ 792.64765 296.2
[M+K]+ 813.57699 294.0
[M-H]- 773.60655 278.1
[M+Na-2H]- 795.58850 289.2
[M]+ 774.61328 289.4
[M]- 774.61438 289.4
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.