CID 5283463

Chembl333514

Structural Information

Molecular Formula
C26H45NO2
SMILES
CCCCCC(C)(C)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C26H45NO2/c1-4-5-18-21-26(2,3)22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-25(29)27-23-24-28/h6-7,10-13,16,19,28H,4-5,8-9,14-15,17-18,20-24H2,1-3H3,(H,27,29)/b7-6-,12-10-,13-11-,19-16-
InChIKey
ZYEZKKALDOOLCG-SHSGONJBSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17,17-dimethyldocosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.34503 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.35231 212.4
[M+Na]+ 426.33425 212.0
[M-H]- 402.33775 208.0
[M+NH4]+ 421.37885 212.5
[M+K]+ 442.30819 204.6
[M+H-H2O]+ 386.34229 205.0
[M+HCOO]- 448.34323 225.8
[M+CH3COO]- 462.35888 227.0
[M+Na-2H]- 424.31970 208.5
[M]+ 403.34448 216.3
[M]- 403.34558 216.3
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.