CID 53478546

Diacylglycerol(24:0/18:0)

Structural Information

Molecular Formula
C45H88O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3/t43-/m0/s1
InChIKey
REOXEWXOGNBTEW-QLKFWGTOSA-N
Compound name
[(2S)-3-hydroxy-2-octadecanoyloxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

708.66315 Da
Monoisotopic Mass

19.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.67043 286.7
[M+Na]+ 731.65237 289.7
[M-H]- 707.65587 269.1
[M+NH4]+ 726.69697 288.5
[M+K]+ 747.62631 294.9
[M+H-H2O]+ 691.66041 285.8
[M+HCOO]- 753.66135 285.0
[M+CH3COO]- 767.67700 285.4
[M+Na-2H]- 729.63782 266.5
[M]+ 708.66260 286.2
[M]- 708.66370 286.2
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.