CID 131776340

Tg(i-22:0/i-24:0/a-15:0)[rac]

Structural Information

Molecular Formula
C64H124O6
SMILES
CCC(C)CCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C64H124O6/c1-7-60(6)52-46-40-34-30-31-36-42-48-54-63(66)69-57-61(56-68-62(65)53-47-41-35-28-24-20-16-13-12-15-19-23-27-33-39-45-51-59(4)5)70-64(67)55-49-43-37-29-25-21-17-11-9-8-10-14-18-22-26-32-38-44-50-58(2)3/h58-61H,7-57H2,1-6H3/t60?,61-/m0/s1
InChIKey
BSZQAUNWIACIGP-FPQJXDIVSA-N
Compound name
[(2S)-1-(20-methylhenicosanoyloxy)-3-(12-methyltetradecanoyloxy)propan-2-yl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

988.9398 Da
Monoisotopic Mass

28.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 989.94708 353.4
[M+Na]+ 1011.9290 351.0
[M+NH4]+ 1006.9736 357.7
[M+K]+ 1027.9030 356.8
[M-H]- 987.93252 335.3
[M+Na-2H]- 1009.9145 344.9
[M]+ 988.93925 349.6
[M]- 988.94035 349.6
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.