PubChemLite - 2-[(3z)-3-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2-phenylethyl)acetamide (C24H23N3O3S2)

Structural Information

Molecular Formula

SMILES

CC(C)N1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NCCC4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C24H23N3O3S2/c1-15(2)27-23(30)21(32-24(27)31)20-17-10-6-7-11-18(17)26(22(20)29)14-19(28)25-13-12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,25,28)/b21-20-

InChIKey

UJSLRYHNNSESQT-MRCUWXFGSA-N

Compound name

2-[(3Z)-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-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]+	466.12535	212.2
[M+Na]+	488.10729	219.4
[M-H]-	464.11079	220.2
[M+NH4]+	483.15189	223.3
[M+K]+	504.08123	211.9
[M+H-H2O]+	448.11533	205.9
[M+HCOO]-	510.11627	219.7
[M+CH3COO]-	524.13192	233.8
[M+Na-2H]-	486.09274	204.6
[M]+	465.11752	214.9
[M]-	465.11862	214.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.12535

212.2

[M+Na]+

488.10729

219.4

[M-H]-

464.11079

220.2

[M+NH4]+

483.15189

223.3

[M+K]+

504.08123

211.9

[M+H-H2O]+

448.11533

205.9

[M+HCOO]-

510.11627

219.7

[M+CH3COO]-

524.13192

233.8

[M+Na-2H]-

486.09274

204.6

[M]+

465.11752

214.9

[M]-

465.11862

214.9

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-isopropyl-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

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