CID 9543923

1,2-didocosanoyl-sn-glycerol

Structural Information

Molecular Formula
C47H92O5
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3/t45-/m0/s1
InChIKey
GNWCZBXSKIIURR-GWHBCOKCSA-N
Compound name
[(2S)-2-docosanoyloxy-3-hydroxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

19
Patents

736.69446 Da
Monoisotopic Mass

20.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.70174 295.3
[M+Na]+ 759.68368 294.7
[M+NH4]+ 754.72828 295.7
[M+K]+ 775.65762 296.6
[M-H]- 735.68718 276.9
[M+Na-2H]- 757.66913 290.5
[M]+ 736.69391 290.6
[M]- 736.69501 290.6
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

patents stripe