CID 137323846

1-o-(2r-methoxy-4z,7z,10z,13z,16z-docosapentaenyl)-sn-glycerol

Structural Information

Molecular Formula
C26H44O4
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H](COC[C@H](CO)O)OC
InChI
InChI=1S/C26H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(29-2)24-30-23-25(28)22-27/h7-8,10-11,13-14,16-17,19-20,25-28H,3-6,9,12,15,18,21-24H2,1-2H3/b8-7-,11-10-,14-13-,17-16-,20-19-/t25-,26+/m0/s1
InChIKey
RFSQCYQEULVFET-KPIMEWLJSA-N
Compound name
(2S)-3-[(2R,4Z,7Z,10Z,13Z,16Z)-2-methoxydocosa-4,7,10,13,16-pentaenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.32397 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.33125 215.1
[M+Na]+ 443.31319 214.3
[M-H]- 419.31669 201.2
[M+NH4]+ 438.35779 210.3
[M+K]+ 459.28713 207.1
[M+H-H2O]+ 403.32123 207.4
[M+HCOO]- 465.32217 220.5
[M+CH3COO]- 479.33782 223.7
[M+Na-2H]- 441.29864 208.4
[M]+ 420.32342 209.9
[M]- 420.32452 209.9
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.