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 300.8
[M+Na]+ 787.71499 304.1
[M-H]- 763.71849 282.1
[M+NH4]+ 782.75959 304.9
[M+K]+ 803.68893 311.0
[M+H-H2O]+ 747.72303 300.7
[M+HCOO]- 809.72397 299.4
[M+CH3COO]- 823.73962 298.1
[M+Na-2H]- 785.70044 279.8
[M]+ 764.72522 301.7
[M]- 764.72632 301.7
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.