PubChemLite - Nae 24:6 (C26H41NO2)

Structural Information

Molecular Formula

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)NCCO

InChI

InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28/h3-4,6-7,9-10,12-13,15-16,18-19,28H,2,5,8,11,14,17,20-25H2,1H3,(H,27,29)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-

InChIKey

ABXZSQDOPQUFNZ-KUBAVDMBSA-N

Compound name

(6Z,9Z,12Z,15Z,18Z,21Z)-N-(2-hydroxyethyl)tetracosa-6,9,12,15,18,21-hexaenamide

Related CIDs

2D Structure

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]+	400.32100	209.0
[M+Na]+	422.30294	208.9
[M-H]-	398.30644	204.5
[M+NH4]+	417.34754	212.7
[M+K]+	438.27688	199.8
[M+H-H2O]+	382.31098	201.2
[M+HCOO]-	444.31192	227.4
[M+CH3COO]-	458.32757	223.9
[M+Na-2H]-	420.28839	204.4
[M]+	399.31317	211.9
[M]-	399.31427	211.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.32100

209.0

[M+Na]+

422.30294

208.9

[M-H]-

398.30644

204.5

[M+NH4]+

417.34754

212.7

[M+K]+

438.27688

199.8

[M+H-H2O]+

382.31098

201.2

[M+HCOO]-

444.31192

227.4

[M+CH3COO]-

458.32757

223.9

[M+Na-2H]-

420.28839

204.4

[M]+

399.31317

211.9

[M]-

399.31427

211.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Nae 24:6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe