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-methylphenyl)acetamide (C24H23N3O3S2)

Structural Information

Molecular Formula

SMILES

CCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4C)/SC1=S

InChI

InChI=1S/C24H23N3O3S2/c1-3-4-13-26-23(30)21(32-24(26)31)20-16-10-6-8-12-18(16)27(22(20)29)14-19(28)25-17-11-7-5-9-15(17)2/h5-12H,3-4,13-14H2,1-2H3,(H,25,28)/b21-20-

InChIKey

KQCTZVXJSYNMET-MRCUWXFGSA-N

Compound name

2-[(3Z)-3-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-methylphenyl)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]+	466.12535	212.6
[M+Na]+	488.10729	220.9
[M-H]-	464.11079	220.7
[M+NH4]+	483.15189	224.0
[M+K]+	504.08123	212.7
[M+H-H2O]+	448.11533	206.3
[M+HCOO]-	510.11627	221.0
[M+CH3COO]-	524.13192	234.2
[M+Na-2H]-	486.09274	205.1
[M]+	465.11752	216.1
[M]-	465.11862	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.12535

212.6

[M+Na]+

488.10729

220.9

[M-H]-

464.11079

220.7

[M+NH4]+

483.15189

224.0

[M+K]+

504.08123

212.7

[M+H-H2O]+

448.11533

206.3

[M+HCOO]-

510.11627

221.0

[M+CH3COO]-

524.13192

234.2

[M+Na-2H]-

486.09274

205.1

[M]+

465.11752

216.1

[M]-

465.11862

216.1

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-methylphenyl)acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe