PubChemLite - N-(2-chlorophenyl)-2-[(3z)-3-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]acetamide (C21H16ClN3O3S2)

Structural Information

Molecular Formula

SMILES

CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S

InChI

InChI=1S/C21H16ClN3O3S2/c1-2-24-20(28)18(30-21(24)29)17-12-7-3-6-10-15(12)25(19(17)27)11-16(26)23-14-9-5-4-8-13(14)22/h3-10H,2,11H2,1H3,(H,23,26)/b18-17-

InChIKey

BHZAZPDAMOTPEU-ZCXUNETKSA-N

Compound name

N-(2-chlorophenyl)-2-[(3Z)-3-(3-ethyl-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]+	458.03945	208.8
[M+Na]+	480.02139	219.0
[M-H]-	456.02489	217.6
[M+NH4]+	475.06599	221.5
[M+K]+	495.99533	210.4
[M+H-H2O]+	440.02943	203.6
[M+HCOO]-	502.03037	213.7
[M+CH3COO]-	516.04602	217.5
[M+Na-2H]-	478.00684	202.0
[M]+	457.03162	213.4
[M]-	457.03272	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

458.03945

208.8

[M+Na]+

480.02139

219.0

[M-H]-

456.02489

217.6

[M+NH4]+

475.06599

221.5

[M+K]+

495.99533

210.4

[M+H-H2O]+

440.02943

203.6

[M+HCOO]-

502.03037

213.7

[M+CH3COO]-

516.04602

217.5

[M+Na-2H]-

478.00684

202.0

[M]+

457.03162

213.4

[M]-

457.03272

213.4

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-ethyl-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

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