PubChemLite - N-(2-chlorophenyl)-2-[(3z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1h-indol-1-yl]acetamide (C22H18ClN3O3S2)

Structural Information

Molecular Formula

SMILES

CCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S

InChI

InChI=1S/C22H18ClN3O3S2/c1-2-11-25-21(29)19(31-22(25)30)18-13-7-3-6-10-16(13)26(20(18)28)12-17(27)24-15-9-5-4-8-14(15)23/h3-10H,2,11-12H2,1H3,(H,24,27)/b19-18-

InChIKey

OHCXVNJUARZIAZ-HNENSFHCSA-N

Compound name

N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-propyl-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]+	472.05510	212.7
[M+Na]+	494.03704	222.4
[M-H]-	470.04054	221.4
[M+NH4]+	489.08164	224.9
[M+K]+	510.01098	213.7
[M+H-H2O]+	454.04508	207.3
[M+HCOO]-	516.04602	217.3
[M+CH3COO]-	530.06167	221.0
[M+Na-2H]-	492.02249	205.5
[M]+	471.04727	217.6
[M]-	471.04837	217.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.05510

212.7

[M+Na]+

494.03704

222.4

[M-H]-

470.04054

221.4

[M+NH4]+

489.08164

224.9

[M+K]+

510.01098

213.7

[M+H-H2O]+

454.04508

207.3

[M+HCOO]-

516.04602

217.3

[M+CH3COO]-

530.06167

221.0

[M+Na-2H]-

492.02249

205.5

[M]+

471.04727

217.6

[M]-

471.04837

217.6

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

N-(2-chlorophenyl)-2-[(3z)-2-oxo-3-(4-oxo-3-propyl-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