CID 131801835

Diacylglycerol(24:0/0:0/22:2)

Structural Information

Molecular Formula
C49H92O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C49H92O5/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)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47,50H,3-11,13,15-17,19,21-46H2,1-2H3/b14-12-,20-18-/t47-/m0/s1
InChIKey
XNKUYSVJEMOQMT-XVFQAYOKSA-N
Compound name
[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-hydroxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

760.69446 Da
Monoisotopic Mass

20.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.70174 294.6
[M+Na]+ 783.68368 298.2
[M-H]- 759.68718 277.2
[M+NH4]+ 778.72828 297.0
[M+K]+ 799.65762 304.1
[M+H-H2O]+ 743.69172 293.5
[M+HCOO]- 805.69266 293.2
[M+CH3COO]- 819.70831 293.6
[M+Na-2H]- 781.66913 273.9
[M]+ 760.69391 293.9
[M]- 760.69501 293.9
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.