PubChemLite - N-(2-fluorophenyl)-2-[(3z)-3-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]acetamide (C25H24FN3O3S2)

Structural Information

Molecular Formula

SMILES

CCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4F)/SC1=S

InChI

InChI=1S/C25H24FN3O3S2/c1-2-3-4-9-14-28-24(32)22(34-25(28)33)21-16-10-5-8-13-19(16)29(23(21)31)15-20(30)27-18-12-7-6-11-17(18)26/h5-8,10-13H,2-4,9,14-15H2,1H3,(H,27,30)/b22-21-

InChIKey

XGQCSUCQXKXJIR-DQRAZIAOSA-N

Compound name

N-(2-fluorophenyl)-2-[(3Z)-3-(3-hexyl-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]+	498.13158	218.5
[M+Na]+	520.11352	226.3
[M-H]-	496.11702	225.0
[M+NH4]+	515.15812	228.5
[M+K]+	536.08746	217.4
[M+H-H2O]+	480.12156	211.0
[M+HCOO]-	542.12250	225.5
[M+CH3COO]-	556.13815	239.5
[M+Na-2H]-	518.09897	210.1
[M]+	497.12375	221.4
[M]-	497.12485	221.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.13158

218.5

[M+Na]+

520.11352

226.3

[M-H]-

496.11702

225.0

[M+NH4]+

515.15812

228.5

[M+K]+

536.08746

217.4

[M+H-H2O]+

480.12156

211.0

[M+HCOO]-

542.12250

225.5

[M+CH3COO]-

556.13815

239.5

[M+Na-2H]-

518.09897

210.1

[M]+

497.12375

221.4

[M]-

497.12485

221.4

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

N-(2-fluorophenyl)-2-[(3z)-3-(3-hexyl-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

Patent stripe