PubChemLite - 2-[(3z)-3-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2-chlorophenyl)acetamide (C26H18ClN3O3S2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)CN2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC=CC=C5Cl)/SC2=S

InChI

InChI=1S/C26H18ClN3O3S2/c27-18-11-5-6-12-19(18)28-21(31)15-29-20-13-7-4-10-17(20)22(24(29)32)23-25(33)30(26(34)35-23)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,28,31)/b23-22-

InChIKey

FTEJHSFDPSUKTQ-FCQUAONHSA-N

Compound name

2-[(3Z)-3-(3-benzyl-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]+	520.05508	224.6
[M+Na]+	542.03702	234.1
[M-H]-	518.04052	236.2
[M+NH4]+	537.08162	234.3
[M+K]+	558.01096	224.7
[M+H-H2O]+	502.04506	218.1
[M+HCOO]-	564.04600	229.6
[M+CH3COO]-	578.06165	232.2
[M+Na-2H]-	540.02247	217.9
[M]+	519.04725	228.6
[M]-	519.04835	228.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.05508

224.6

[M+Na]+

542.03702

234.1

[M-H]-

518.04052

236.2

[M+NH4]+

537.08162

234.3

[M+K]+

558.01096

224.7

[M+H-H2O]+

502.04506

218.1

[M+HCOO]-

564.04600

229.6

[M+CH3COO]-

578.06165

232.2

[M+Na-2H]-

540.02247

217.9

[M]+

519.04725

228.6

[M]-

519.04835

228.6

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-benzyl-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

Patent stripe