PubChemLite - 2-(4-hydroxy-3-ethoxyphenyl)-3-{[4-(4-methoxybenzoylamino)benzoyl]amino}-4-thiazolidone (C26H25N3O6S)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=CC(=C1)C2N(C(=O)CS2)NC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C26H25N3O6S/c1-3-35-22-14-18(8-13-21(22)30)26-29(23(31)15-36-26)28-25(33)17-4-9-19(10-5-17)27-24(32)16-6-11-20(34-2)12-7-16/h4-14,26,30H,3,15H2,1-2H3,(H,27,32)(H,28,33)

InChIKey

LIOKXDZMRSSCIF-UHFFFAOYSA-N

Compound name

N-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-[(4-methoxybenzoyl)amino]benzamide

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]+	508.15368	218.2
[M+Na]+	530.13562	221.8
[M-H]-	506.13912	228.4
[M+NH4]+	525.18022	223.5
[M+K]+	546.10956	217.3
[M+H-H2O]+	490.14366	208.0
[M+HCOO]-	552.14460	232.9
[M+CH3COO]-	566.16025	242.9
[M+Na-2H]-	528.12107	214.5
[M]+	507.14585	221.3
[M]-	507.14695	221.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.15368

218.2

[M+Na]+

530.13562

221.8

[M-H]-

506.13912

228.4

[M+NH4]+

525.18022

223.5

[M+K]+

546.10956

217.3

[M+H-H2O]+

490.14366

208.0

[M+HCOO]-

552.14460

232.9

[M+CH3COO]-

566.16025

242.9

[M+Na-2H]-

528.12107

214.5

[M]+

507.14585

221.3

[M]-

507.14695

221.3

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

2-(4-hydroxy-3-ethoxyphenyl)-3-{[4-(4-methoxybenzoylamino)benzoyl]amino}-4-thiazolidone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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