PubChemLite - N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine (C28H42N2O3S)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C28H42N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(31)30-25-24-26-20-22-27(23-21-26)34(29,32)33/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19,24-25H2,1H3,(H,30,31)(H2,29,32,33)/b7-6-,10-9-,13-12-,16-15-

InChIKey

PCSYNZSWISKYPW-DOFZRALJSA-N

Compound name

(5Z,8Z,11Z,14Z)-N-[2-(4-sulfamoylphenyl)ethyl]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]+	487.29891	225.0
[M+Na]+	509.28085	225.2
[M-H]-	485.28435	224.8
[M+NH4]+	504.32545	231.9
[M+K]+	525.25479	215.6
[M+H-H2O]+	469.28889	215.4
[M+HCOO]-	531.28983	238.6
[M+CH3COO]-	545.30548	240.7
[M+Na-2H]-	507.26630	220.1
[M]+	486.29108	229.3
[M]-	486.29218	229.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.29891

225.0

[M+Na]+

509.28085

225.2

[M-H]-

485.28435

224.8

[M+NH4]+

504.32545

231.9

[M+K]+

525.25479

215.6

[M+H-H2O]+

469.28889

215.4

[M+HCOO]-

531.28983

238.6

[M+CH3COO]-

545.30548

240.7

[M+Na-2H]-

507.26630

220.1

[M]+

486.29108

229.3

[M]-

486.29218

229.3

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

N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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