CID 9545219

1-hexadecanoyl-2,3-didocosanoyl-sn-glycerol

Structural Information

Molecular Formula
C63H122O6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3/t60-/m1/s1
InChIKey
XSZWLSQCJKCCQV-AKAJXFOGSA-N
Compound name
[(2R)-2-docosanoyloxy-3-hexadecanoyloxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

974.92413 Da
Monoisotopic Mass

28.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 975.93141 347.5
[M+Na]+ 997.91335 345.3
[M+NH4]+ 992.95795 349.4
[M+K]+ 1013.8873 350.8
[M-H]- 973.91685 326.1
[M+Na-2H]- 995.89880 338.4
[M]+ 974.92358 342.6
[M]- 974.92468 342.6
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.