CID 131754067

1-myristoyl-2-stearyl-3-myristoyl-glycerol

Structural Information

Molecular Formula
C49H96O5
SMILES
CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C49H96O5/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41-44-52-47(45-53-48(50)42-39-36-33-30-27-20-17-14-11-8-5-2)46-54-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3/h47H,4-46H2,1-3H3
InChIKey
BKDDFLDKDFVIPD-UHFFFAOYSA-N
Compound name
(2-octadecoxy-3-tetradecanoyloxypropyl) tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

764.72577 Da
Monoisotopic Mass

21.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.73305 303.3
[M+Na]+ 787.71499 302.3
[M+NH4]+ 782.75959 304.3
[M+K]+ 803.68893 304.8
[M-H]- 763.71849 283.9
[M+Na-2H]- 785.70044 297.8
[M]+ 764.72522 298.5
[M]- 764.72632 298.5
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.