CID 131774332

Tg(a-25:0/i-21:0/i-21:0)[rac]

Structural Information

Molecular Formula
C70H136O6
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C70H136O6/c1-7-66(6)58-52-46-40-34-28-22-16-10-8-9-11-17-23-29-35-41-47-53-59-68(71)74-62-67(76-70(73)61-55-49-43-37-31-25-19-13-15-21-27-33-39-45-51-57-65(4)5)63-75-69(72)60-54-48-42-36-30-24-18-12-14-20-26-32-38-44-50-56-64(2)3/h64-67H,7-63H2,1-6H3/t66?,67-/m1/s1
InChIKey
ATWNRIIJNNQWJN-CCJKQXCBSA-N
Compound name
[(2R)-2,3-bis(19-methylicosanoyloxy)propyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1073.0337 Da
Monoisotopic Mass

31.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1074.0410 370.4
[M+Na]+ 1096.0229 367.5
[M+NH4]+ 1091.0675 374.5
[M+K]+ 1111.9969 374.4
[M-H]- 1072.0264 350.5
[M+Na-2H]- 1094.0084 360.2
[M]+ 1073.0332 366.2
[M]- 1073.0342 366.2
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.