CID 56937470

1-tridecanoyl-2-tetradecanoyl-3-octadecanoyl-sn-glycerol

Structural Information

Molecular Formula
C48H92O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-23-24-25-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3/t45-/m1/s1
InChIKey
KNQVTQAJWRSOCN-WBVITSLISA-N
Compound name
[(2R)-2-tetradecanoyloxy-3-tridecanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

764.6894 Da
Monoisotopic Mass

20.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.69668 301.8
[M+Na]+ 787.67862 301.0
[M+NH4]+ 782.72322 304.2
[M+K]+ 803.65256 303.6
[M-H]- 763.68212 285.2
[M+Na-2H]- 785.66407 297.3
[M]+ 764.68885 298.0
[M]- 764.68995 298.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.