CID 3609399

1,2-dimyristoyl-3-palmitoyl-rac-glycerol

Structural Information

Molecular Formula
C47H90O6
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3
InChIKey
AMXRERGJDVUTMF-UHFFFAOYSA-N
Compound name
2,3-di(tetradecanoyloxy)propyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

750.67377 Da
Monoisotopic Mass

19.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 751.681046 294.4
[M+Na]+ 773.662988 298.7
[M-H]- 749.666494 279.5
[M+NH4]+ 768.707593 301.2
[M+K]+ 789.636928 304.7
[M+H-H2O]+ 733.671030 295.4
[M+HCOO]- 795.671971 292.2
[M+CH3COO]- 809.687621 293.8
[M+Na-2H]- 771.648436 275.0
[M]+ 750.67322142 295.6
[M]- 750.67431858 295.6
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

patents stripe