CID 5283448

N-(6z,9z,12z,15z-octadecatetraenoyl)-ethanolamine

Structural Information

Molecular Formula
C20H33NO2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)NCCO
InChI
InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,12-13,22H,2,5,8,11,14-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-,13-12-
InChIKey
BSEHZAIYCIVZNE-LTKCOYKYSA-N
Compound name
(6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.25113 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.25841 186.3
[M+Na]+ 342.24035 187.9
[M-H]- 318.24385 182.8
[M+NH4]+ 337.28495 199.8
[M+K]+ 358.21429 181.5
[M+H-H2O]+ 302.24839 179.3
[M+HCOO]- 364.24933 205.5
[M+CH3COO]- 378.26498 208.8
[M+Na-2H]- 340.22580 184.5
[M]+ 319.25058 188.4
[M]- 319.25168 188.4
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

patents stripe