PubChemLite - 2-[(3z)-3-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2-phenylethyl)acetamide (C25H25N3O3S2)

Structural Information

Molecular Formula

SMILES

CC(C)CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NCCC4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C25H25N3O3S2/c1-16(2)14-28-24(31)22(33-25(28)32)21-18-10-6-7-11-19(18)27(23(21)30)15-20(29)26-13-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,26,29)/b22-21-

InChIKey

QAACTEGSJDIGBV-DQRAZIAOSA-N

Compound name

2-[(3Z)-3-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-phenylethyl)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]+	480.14101	216.1
[M+Na]+	502.12295	222.8
[M-H]-	478.12645	223.8
[M+NH4]+	497.16755	226.6
[M+K]+	518.09689	215.1
[M+H-H2O]+	462.13099	209.7
[M+HCOO]-	524.13193	223.3
[M+CH3COO]-	538.14758	236.6
[M+Na-2H]-	500.10840	208.1
[M]+	479.13318	219.1
[M]-	479.13428	219.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.14101

216.1

[M+Na]+

502.12295

222.8

[M-H]-

478.12645

223.8

[M+NH4]+

497.16755

226.6

[M+K]+

518.09689

215.1

[M+H-H2O]+

462.13099

209.7

[M+HCOO]-

524.13193

223.3

[M+CH3COO]-

538.14758

236.6

[M+Na-2H]-

500.10840

208.1

[M]+

479.13318

219.1

[M]-

479.13428

219.1

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-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2-phenylethyl)acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe