CID 131802891

Dg(a-25:0/19:0/0:0)

Structural Information

Molecular Formula
C47H92O5
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C47H92O5/c1-4-6-7-8-9-10-11-12-13-19-23-26-29-32-35-38-41-47(50)52-45(42-48)43-51-46(49)40-37-34-31-28-25-22-20-17-15-14-16-18-21-24-27-30-33-36-39-44(3)5-2/h44-45,48H,4-43H2,1-3H3/t44?,45-/m0/s1
InChIKey
GMMHOFCTWHDXKE-AXFIPLKASA-N
Compound name
[(2S)-3-hydroxy-2-nonadecanoyloxypropyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

736.69446 Da
Monoisotopic Mass

20.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.70174 296.2
[M+Na]+ 759.68368 295.5
[M+NH4]+ 754.72828 297.4
[M+K]+ 775.65762 297.4
[M-H]- 735.68718 278.9
[M+Na-2H]- 757.66913 291.6
[M]+ 736.69391 291.9
[M]- 736.69501 291.9
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.