PubChemLite - N-(2-chlorophenyl)-2-[(3z)-2-oxo-3-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1h-indol-1-yl]acetamide (C24H22ClN3O3S2)

Structural Information

Molecular Formula

SMILES

CCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S

InChI

InChI=1S/C24H22ClN3O3S2/c1-2-3-8-13-27-23(31)21(33-24(27)32)20-15-9-4-7-12-18(15)28(22(20)30)14-19(29)26-17-11-6-5-10-16(17)25/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,26,29)/b21-20-

InChIKey

XXHCLLFZJUNMLV-MRCUWXFGSA-N

Compound name

N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-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]+	500.08638	220.5
[M+Na]+	522.06832	229.3
[M-H]-	498.07182	228.7
[M+NH4]+	517.11292	231.5
[M+K]+	538.04226	220.2
[M+H-H2O]+	482.07636	214.7
[M+HCOO]-	544.07730	224.4
[M+CH3COO]-	558.09295	228.0
[M+Na-2H]-	520.05377	212.5
[M]+	499.07855	226.0
[M]-	499.07965	226.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.08638

220.5

[M+Na]+

522.06832

229.3

[M-H]-

498.07182

228.7

[M+NH4]+

517.11292

231.5

[M+K]+

538.04226

220.2

[M+H-H2O]+

482.07636

214.7

[M+HCOO]-

544.07730

224.4

[M+CH3COO]-

558.09295

228.0

[M+Na-2H]-

520.05377

212.5

[M]+

499.07855

226.0

[M]-

499.07965

226.0

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)-2-oxo-3-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1h-indol-1-yl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe