CID 53245830

Cervonoyl ethanolamide

Structural Information

Molecular Formula
C24H36O3
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCCO
InChI
InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25/h3-4,6-7,9-10,12-13,15-16,18-19,25H,2,5,8,11,14,17,20-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey
CXWASNUDKUTFPQ-KUBAVDMBSA-N
Compound name
2-hydroxyethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

372.26645 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.27373 201.5
[M+Na]+ 395.25567 207.5
[M+NH4]+ 390.30027 196.9
[M+K]+ 411.22961 199.7
[M-H]- 371.25917 197.3
[M+Na-2H]- 393.24112 198.8
[M]+ 372.26590 200.4
[M]- 372.26700 200.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.