CID 53478561

Diacylglycerol(24:0/22:0)

Structural Information

Molecular Formula
C49H96O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C49H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(51)53-46-47(45-50)54-49(52)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h47,50H,3-46H2,1-2H3/t47-/m0/s1
InChIKey
RQUWQRRCUNWZCO-MFERNQICSA-N
Compound name
[(2S)-2-docosanoyloxy-3-hydroxypropyl] 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 299.4
[M+Na]+ 787.71499 301.7
[M-H]- 763.71849 280.3
[M+NH4]+ 782.75959 301.2
[M+K]+ 803.68893 308.6
[M+H-H2O]+ 747.72303 298.2
[M+HCOO]- 809.72397 296.3
[M+CH3COO]- 823.73962 295.8
[M+Na-2H]- 785.70044 277.7
[M]+ 764.72522 299.1
[M]- 764.72632 299.1
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.