PubChemLite - N-(2-fluorophenyl)-2-[(3z)-2-oxo-3-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1h-indol-1-yl]acetamide (C24H22FN3O3S2)

Structural Information

Molecular Formula

SMILES

CCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4F)/SC1=S

InChI

InChI=1S/C24H22FN3O3S2/c1-2-3-8-13-27-23(31)21(33-24(27)32)20-15-9-4-7-12-18(15)28(22(20)30)14-19(29)26-17-11-6-5-10-16(17)25/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,26,29)/b21-20-

InChIKey

NIXCPSQFRBRKCX-MRCUWXFGSA-N

Compound name

N-(2-fluorophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-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]+	484.11595	214.6
[M+Na]+	506.09789	222.9
[M-H]-	482.10139	221.3
[M+NH4]+	501.14249	225.2
[M+K]+	522.07183	214.2
[M+H-H2O]+	466.10593	207.3
[M+HCOO]-	528.10687	222.0
[M+CH3COO]-	542.12252	236.7
[M+Na-2H]-	504.08334	206.6
[M]+	483.10812	217.2
[M]-	483.10922	217.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.11595

214.6

[M+Na]+

506.09789

222.9

[M-H]-

482.10139

221.3

[M+NH4]+

501.14249

225.2

[M+K]+

522.07183

214.2

[M+H-H2O]+

466.10593

207.3

[M+HCOO]-

528.10687

222.0

[M+CH3COO]-

542.12252

236.7

[M+Na-2H]-

504.08334

206.6

[M]+

483.10812

217.2

[M]-

483.10922

217.2

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe