CID 53478380

Dg(22:0/24:0/0:0)

Structural Information

Molecular Formula
C49H96O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C49H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h47,50H,3-46H2,1-2H3/t47-/m0/s1
InChIKey
JNFGMOVZFAMADX-MFERNQICSA-N
Compound name
[(2S)-1-docosanoyloxy-3-hydroxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

764.72577 Da
Monoisotopic Mass

21.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.73305 301.6
[M+Na]+ 787.71499 300.8
[M+NH4]+ 782.75959 301.9
[M+K]+ 803.68893 303.1
[M-H]- 763.71849 282.5
[M+Na-2H]- 785.70044 296.1
[M]+ 764.72522 296.8
[M]- 764.72632 296.8
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.