CID 131757354

Tracylglycerol(22:0/24:0/18:0)

Structural Information

Molecular Formula
C67H132O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C67H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h65H,4-64H2,1-3H3/t65-/m1/s1
InChIKey
RWGOKIUBFDMFFO-IDKUVDLHSA-N
Compound name
[(2R)-1-docosanoyloxy-3-octadecoxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1017.0075 Da
Monoisotopic Mass

31.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1018.0148 356.2
[M+Na]+ 1039.9967 353.7
[M+NH4]+ 1035.0413 356.8
[M+K]+ 1055.9707 359.7
[M-H]- 1016.0002 331.3
[M+Na-2H]- 1037.9822 345.5
[M]+ 1017.0070 350.3
[M]- 1017.0080 350.3
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.