CID 24778498

14(15)-epetre-ea

Structural Information

Molecular Formula

SMILES

CCCCCC1C(O1)C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO

InChI

InChI=1S/C22H37NO3/c1-2-3-12-15-20-21(26-20)16-13-10-8-6-4-5-7-9-11-14-17-22(25)23-18-19-24/h4,6-7,9-10,13,20-21,24H,2-3,5,8,11-12,14-19H2,1H3,(H,23,25)/b6-4-,9-7-,13-10-

InChIKey

WYVHLKMCZZDTOU-ILYOTBPNSA-N

Compound name

(5Z,8Z,11Z)-N-(2-hydroxyethyl)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide

Related CIDs

2D Structure

2
Annotation Hits: 0
References: 2
Patents: 363.27734 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	364.28462	193.2
[M+Na]+	386.26656	196.8
[M-H]-	362.27006	194.9
[M+NH4]+	381.31116	199.5
[M+K]+	402.24050	190.4
[M+H-H2O]+	346.27460	185.1
[M+HCOO]-	408.27554	211.3
[M+CH3COO]-	422.29119	219.6
[M+Na-2H]-	384.25201	192.0
[M]+	363.27679	200.6
[M]-	363.27789	200.6

Literature stripe

Patent stripe