CID 9544747

1,2-dinonadecanoyl-3-eicosanoyl-sn-glycerol

Structural Information

Molecular Formula
C61H118O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C61H118O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h58H,4-57H2,1-3H3
InChIKey
AUVMPHKEEBNFOK-UHFFFAOYSA-N
Compound name
2,3-di(nonadecanoyloxy)propyl icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

946.8928 Da
Monoisotopic Mass

27.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 947.90008 341.7
[M+Na]+ 969.88202 339.7
[M+NH4]+ 964.92662 343.6
[M+K]+ 985.85596 344.8
[M-H]- 945.88552 320.9
[M+Na-2H]- 967.86747 333.2
[M]+ 946.89225 337.0
[M]- 946.89335 337.0
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.