CID 5283465

Chembl121258

Structural Information

Molecular Formula
C25H43NO2
SMILES
CCCCCC(C)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C25H43NO2/c1-3-4-16-19-24(2)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-25(28)26-22-23-27/h5,7-8,10-11,13-14,17,24,27H,3-4,6,9,12,15-16,18-23H2,1-2H3,(H,26,28)/b7-5-,10-8-,13-11-,17-14-
InChIKey
JBTMRPVMELNRLS-WGTJKWGZSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.32938 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.33666 208.9
[M+Na]+ 412.31860 208.2
[M-H]- 388.32210 204.5
[M+NH4]+ 407.36320 213.2
[M+K]+ 428.29254 201.1
[M+H-H2O]+ 372.32664 201.1
[M+HCOO]- 434.32758 225.5
[M+CH3COO]- 448.34323 224.5
[M+Na-2H]- 410.30405 203.3
[M]+ 389.32883 212.3
[M]- 389.32993 212.3
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.