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 199.6
[M+Na]+ 395.25567 201.3
[M-H]- 371.25917 195.6
[M+NH4]+ 390.30027 211.3
[M+K]+ 411.22961 193.2
[M+H-H2O]+ 355.26371 192.5
[M+HCOO]- 417.26465 217.3
[M+CH3COO]- 431.28030 214.8
[M+Na-2H]- 393.24112 195.8
[M]+ 372.26590 204.1
[M]- 372.26700 204.1
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.