CID 131801691

1-myristoyl-3-lignoceroyl-sn-glycerol

Structural Information

Molecular Formula
C41H80O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m1/s1
InChIKey
SANMXLBJCOQPDA-LDLOPFEMSA-N
Compound name
[(2R)-2-hydroxy-3-tetradecanoyloxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

652.6006 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.60788 276.1
[M+Na]+ 675.58982 276.0
[M+NH4]+ 670.63442 276.7
[M+K]+ 691.56376 276.7
[M-H]- 651.59332 259.6
[M+Na-2H]- 673.57527 273.1
[M]+ 652.60005 271.8
[M]- 652.60115 271.8
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.