PubChemLite - N-(2,4-dimethylphenyl)-2-{(3z)-3-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1h-indol-1-yl}acetamide (C24H23N3O4S2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CCOC)/C2=O)C

InChI

InChI=1S/C24H23N3O4S2/c1-14-8-9-17(15(2)12-14)25-19(28)13-27-18-7-5-4-6-16(18)20(22(27)29)21-23(30)26(10-11-31-3)24(32)33-21/h4-9,12H,10-11,13H2,1-3H3,(H,25,28)/b21-20-

InChIKey

LWCRUCXOBCACNM-MRCUWXFGSA-N

Compound name

N-(2,4-dimethylphenyl)-2-[(3Z)-3-[3-(2-methoxyethyl)-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]+	482.12028	215.7
[M+Na]+	504.10222	225.3
[M+NH4]+	499.14682	220.8
[M+K]+	520.07616	218.7
[M-H]-	480.10572	218.9
[M+Na-2H]-	502.08767	217.6
[M]+	481.11245	218.6
[M]-	481.11355	218.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.12028

215.7

[M+Na]+

504.10222

225.3

[M+NH4]+

499.14682

220.8

[M+K]+

520.07616

218.7

[M-H]-

480.10572

218.9

[M+Na-2H]-

502.08767

217.6

[M]+

481.11245

218.6

[M]-

481.11355

218.6

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

N-(2,4-dimethylphenyl)-2-{(3z)-3-[3-(2-methoxyethyl)-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