PubChemLite - N-(4-benzenesulfonamide) arachidonoyl amine (C26H38N2O3S)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C26H38N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)28-24-20-22-25(23-21-24)32(27,30)31/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,29)(H2,27,30,31)/b7-6-,10-9-,13-12-,16-15-

InChIKey

JPTVAWAHYWEYRT-DOFZRALJSA-N

Compound name

(5Z,8Z,11Z,14Z)-N-(4-sulfamoylphenyl)icosa-5,8,11,14-tetraenamide

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]+	459.26758	216.9
[M+Na]+	481.24952	218.0
[M-H]-	457.25302	217.1
[M+NH4]+	476.29412	224.9
[M+K]+	497.22346	208.8
[M+H-H2O]+	441.25756	207.7
[M+HCOO]-	503.25850	231.2
[M+CH3COO]-	517.27415	234.8
[M+Na-2H]-	479.23497	212.8
[M]+	458.25975	220.5
[M]-	458.26085	220.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.26758

216.9

[M+Na]+

481.24952

218.0

[M-H]-

457.25302

217.1

[M+NH4]+

476.29412

224.9

[M+K]+

497.22346

208.8

[M+H-H2O]+

441.25756

207.7

[M+HCOO]-

503.25850

231.2

[M+CH3COO]-

517.27415

234.8

[M+Na-2H]-

479.23497

212.8

[M]+

458.25975

220.5

[M]-

458.26085

220.5

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

N-(4-benzenesulfonamide) arachidonoyl amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe