PubChemLite - N-(2-chlorophenyl)-2-{(3z)-2-oxo-3-[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1h-indol-1-yl}acetamide (C24H20ClN3O4S2)

Structural Information

Molecular Formula

SMILES

C1CC(OC1)CN2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC=CC=C5Cl)/SC2=S

InChI

InChI=1S/C24H20ClN3O4S2/c25-16-8-2-3-9-17(16)26-19(29)13-27-18-10-4-1-7-15(18)20(22(27)30)21-23(31)28(24(33)34-21)12-14-6-5-11-32-14/h1-4,7-10,14H,5-6,11-13H2,(H,26,29)/b21-20-

InChIKey

NBIMCWASKXKSCI-MRCUWXFGSA-N

Compound name

N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-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]+	514.06563	224.3
[M+Na]+	536.04757	232.8
[M-H]-	512.05107	236.9
[M+NH4]+	531.09217	235.0
[M+K]+	552.02151	226.7
[M+H-H2O]+	496.05561	220.5
[M+HCOO]-	558.05655	227.8
[M+CH3COO]-	572.07220	232.1
[M+Na-2H]-	534.03302	214.6
[M]+	513.05780	228.2
[M]-	513.05890	228.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.06563

224.3

[M+Na]+

536.04757

232.8

[M-H]-

512.05107

236.9

[M+NH4]+

531.09217

235.0

[M+K]+

552.02151

226.7

[M+H-H2O]+

496.05561

220.5

[M+HCOO]-

558.05655

227.8

[M+CH3COO]-

572.07220

232.1

[M+Na-2H]-

534.03302

214.6

[M]+

513.05780

228.2

[M]-

513.05890

228.2

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-(tetrahydro-2-furanylmethyl)-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