PubChemLite - N-(2-chlorophenyl)-2-[(3z)-3-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]acetamide (C20H14ClN3O3S2)

Structural Information

Molecular Formula

SMILES

CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S

InChI

InChI=1S/C20H14ClN3O3S2/c1-23-19(27)17(29-20(23)28)16-11-6-2-5-9-14(11)24(18(16)26)10-15(25)22-13-8-4-3-7-12(13)21/h2-9H,10H2,1H3,(H,22,25)/b17-16-

InChIKey

WIWYHHJWUMZOIT-MSUUIHNZSA-N

Compound name

N-(2-chlorophenyl)-2-[(3Z)-3-(3-methyl-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]+	444.02378	204.9
[M+Na]+	466.00572	215.5
[M-H]-	442.00922	213.9
[M+NH4]+	461.05032	218.1
[M+K]+	481.97966	207.1
[M+H-H2O]+	426.01376	199.8
[M+HCOO]-	488.01470	210.1
[M+CH3COO]-	502.03035	214.0
[M+Na-2H]-	463.99117	198.4
[M]+	443.01595	209.1
[M]-	443.01705	209.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.02378

204.9

[M+Na]+

466.00572

215.5

[M-H]-

442.00922

213.9

[M+NH4]+

461.05032

218.1

[M+K]+

481.97966

207.1

[M+H-H2O]+

426.01376

199.8

[M+HCOO]-

488.01470

210.1

[M+CH3COO]-

502.03035

214.0

[M+Na-2H]-

463.99117

198.4

[M]+

443.01595

209.1

[M]-

443.01705

209.1

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

N-(2-chlorophenyl)-2-[(3z)-3-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe