CID 131758015

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

Structural Information

Molecular Formula
C69H136O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C69H136O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-66-67(65-72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h67H,4-66H2,1-3H3/t67-/m1/s1
InChIKey
OAKCIMQTYHAVQF-XQIOEBDSSA-N
Compound name
[(2R)-3-octadecoxy-2-tetracosanoyloxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1045.0388 Da
Monoisotopic Mass

32.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1046.0461 359.3
[M+Na]+ 1068.0280 359.5
[M-H]- 1044.0315 333.5
[M+NH4]+ 1063.0726 363.6
[M+K]+ 1084.0020 374.4
[M+H-H2O]+ 1028.0361 357.6
[M+HCOO]- 1090.0370 351.0
[M+CH3COO]- 1104.0527 346.0
[M+Na-2H]- 1066.0135 331.4
[M]+ 1045.0383 362.4
[M]- 1045.0393 362.4
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.