PubChemLite - (2z,5z)-5-[(2,4-dichlorophenyl)methylene]-3-(4-ethoxyphenyl)-2-(2-pyridylimino)thiazolidin-4-one (C23H17Cl2N3O2S)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/S/C2=N\C4=CC=CC=N4

InChI

InChI=1S/C23H17Cl2N3O2S/c1-2-30-18-10-8-17(9-11-18)28-22(29)20(13-15-6-7-16(24)14-19(15)25)31-23(28)27-21-5-3-4-12-26-21/h3-14H,2H2,1H3/b20-13-,27-23-

InChIKey

YXGXOZPEJYIQRM-SLIQITBESA-N

Compound name

(2Z,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-ethoxyphenyl)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

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]+	470.04912	212.3
[M+Na]+	492.03106	222.5
[M-H]-	468.03456	223.4
[M+NH4]+	487.07566	221.9
[M+K]+	508.00500	213.3
[M+H-H2O]+	452.03910	202.2
[M+HCOO]-	514.04004	220.3
[M+CH3COO]-	528.05569	221.1
[M+Na-2H]-	490.01651	208.4
[M]+	469.04129	218.0
[M]-	469.04239	218.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.04912

212.3

[M+Na]+

492.03106

222.5

[M-H]-

468.03456

223.4

[M+NH4]+

487.07566

221.9

[M+K]+

508.00500

213.3

[M+H-H2O]+

452.03910

202.2

[M+HCOO]-

514.04004

220.3

[M+CH3COO]-

528.05569

221.1

[M+Na-2H]-

490.01651

208.4

[M]+

469.04129

218.0

[M]-

469.04239

218.0

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

(2z,5z)-5-[(2,4-dichlorophenyl)methylene]-3-(4-ethoxyphenyl)-2-(2-pyridylimino)thiazolidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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