CID 131802898

Dg(a-25:0/22:0/0:0)

Structural Information

Molecular Formula
C50H98O5
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C50H98O5/c1-4-6-7-8-9-10-11-12-13-14-15-20-23-26-29-32-35-38-41-44-50(53)55-48(45-51)46-54-49(52)43-40-37-34-31-28-25-22-19-17-16-18-21-24-27-30-33-36-39-42-47(3)5-2/h47-48,51H,4-46H2,1-3H3/t47?,48-/m0/s1
InChIKey
GOUOGFNMEBZEKT-HOMNMMCZSA-N
Compound name
[(2S)-2-docosanoyloxy-3-hydroxypropyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

778.74146 Da
Monoisotopic Mass

21.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.74874 305.6
[M+Na]+ 801.73068 304.7
[M+NH4]+ 796.77528 306.7
[M+K]+ 817.70462 307.2
[M-H]- 777.73418 287.4
[M+Na-2H]- 799.71613 300.1
[M]+ 778.74091 301.1
[M]- 778.74201 301.1
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.