CID 131776615

Tg(i-24:0/20:0/16:0)

Structural Information

Molecular Formula
C63H122O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C63H122O6/c1-5-7-9-11-13-15-17-19-20-23-28-32-36-40-44-48-52-56-63(66)69-60(57-67-61(64)54-50-46-42-38-34-29-18-16-14-12-10-8-6-2)58-68-62(65)55-51-47-43-39-35-31-27-25-22-21-24-26-30-33-37-41-45-49-53-59(3)4/h59-60H,5-58H2,1-4H3/t60-/m1/s1
InChIKey
QIVZIPRDJHAFBP-AKAJXFOGSA-N
Compound name
[(2R)-3-hexadecanoyloxy-2-icosanoyloxypropyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

974.92413 Da
Monoisotopic Mass

28.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 975.93141 341.7
[M+Na]+ 997.91335 344.0
[M-H]- 973.91685 322.6
[M+NH4]+ 992.95795 350.2
[M+K]+ 1013.8873 357.0
[M+H-H2O]+ 957.92139 342.0
[M+HCOO]- 1019.9223 331.4
[M+CH3COO]- 1033.9380 333.4
[M+Na-2H]- 995.89880 317.3
[M]+ 974.92358 345.0
[M]- 974.92468 345.0
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.