PubChemLite - 2-[(3z)-3-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2-chlorophenyl)acetamide (C23H20ClN3O3S2)

Structural Information

Molecular Formula

SMILES

CCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S

InChI

InChI=1S/C23H20ClN3O3S2/c1-2-3-12-26-22(30)20(32-23(26)31)19-14-8-4-7-11-17(14)27(21(19)29)13-18(28)25-16-10-6-5-9-15(16)24/h4-11H,2-3,12-13H2,1H3,(H,25,28)/b20-19-

InChIKey

VJDYGXRCFJBDFV-VXPUYCOJSA-N

Compound name

2-[(3Z)-3-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-chlorophenyl)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]+	486.07076	216.6
[M+Na]+	508.05270	225.9
[M-H]-	484.05620	225.1
[M+NH4]+	503.09730	228.2
[M+K]+	524.02664	217.0
[M+H-H2O]+	468.06074	211.0
[M+HCOO]-	530.06168	220.9
[M+CH3COO]-	544.07733	224.5
[M+Na-2H]-	506.03815	209.0
[M]+	485.06293	221.8
[M]-	485.06403	221.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.07076

216.6

[M+Na]+

508.05270

225.9

[M-H]-

484.05620

225.1

[M+NH4]+

503.09730

228.2

[M+K]+

524.02664

217.0

[M+H-H2O]+

468.06074

211.0

[M+HCOO]-

530.06168

220.9

[M+CH3COO]-

544.07733

224.5

[M+Na-2H]-

506.03815

209.0

[M]+

485.06293

221.8

[M]-

485.06403

221.8

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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