CID 91438536

1,3-dimyristoyl-2-stearoyl-sn-glycerol

Structural Information

Molecular Formula
C49H94O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h46H,4-45H2,1-3H3
InChIKey
WPBDIWDEAHHPIF-UHFFFAOYSA-N
Compound name
1,3-di(tetradecanoyloxy)propan-2-yl octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2
Patents

778.705 Da
Monoisotopic Mass

20.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.71228 305.0
[M+Na]+ 801.69422 304.1
[M+NH4]+ 796.73882 307.4
[M+K]+ 817.66816 306.9
[M-H]- 777.69772 288.1
[M+Na-2H]- 799.67967 300.2
[M]+ 778.70445 301.1
[M]- 778.70555 301.1
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