PubChemLite - 618077-20-6 (C24H20ClN3O3S2)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC=CC=C5Cl)/SC2=S

InChI

InChI=1S/C24H20ClN3O3S2/c25-16-10-4-5-11-17(16)26-19(29)13-27-18-12-6-3-9-15(18)20(22(27)30)21-23(31)28(24(32)33-21)14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8,13H2,(H,26,29)/b21-20-

InChIKey

HMHBAYZPVMUEBP-MRCUWXFGSA-N

Compound name

N-(2-chlorophenyl)-2-[(3Z)-3-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide

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]+	498.07076	221.9
[M+Na]+	520.05270	230.5
[M-H]-	496.05620	233.8
[M+NH4]+	515.09730	234.6
[M+K]+	536.02664	222.8
[M+H-H2O]+	480.06074	217.5
[M+HCOO]-	542.06168	225.9
[M+CH3COO]-	556.07733	229.7
[M+Na-2H]-	518.03815	211.6
[M]+	497.06293	224.1
[M]-	497.06403	224.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.07076

221.9

[M+Na]+

520.05270

230.5

[M-H]-

496.05620

233.8

[M+NH4]+

515.09730

234.6

[M+K]+

536.02664

222.8

[M+H-H2O]+

480.06074

217.5

[M+HCOO]-

542.06168

225.9

[M+CH3COO]-

556.07733

229.7

[M+Na-2H]-

518.03815

211.6

[M]+

497.06293

224.1

[M]-

497.06403

224.1

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

618077-20-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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