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

2
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

patents stripe