PubChemLite - (2z,5z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-(2-pyridylimino)thiazolidin-4-one (C24H21N3O4S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H21N3O4S/c1-3-31-18-10-8-17(9-11-18)27-23(29)21(15-16-7-12-19(28)20(14-16)30-2)32-24(27)26-22-6-4-5-13-25-22/h4-15,28H,3H2,1-2H3/b21-15-,26-24-

InChIKey

MHWAKNGCERQYIO-BNUIPMERSA-N

Compound name

(2Z,5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-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]+	448.13255	207.7
[M+Na]+	470.11449	215.5
[M-H]-	446.11799	218.4
[M+NH4]+	465.15909	215.8
[M+K]+	486.08843	208.5
[M+H-H2O]+	430.12253	197.0
[M+HCOO]-	492.12347	224.1
[M+CH3COO]-	506.13912	216.4
[M+Na-2H]-	468.09994	205.0
[M]+	447.12472	211.2
[M]-	447.12582	211.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

448.13255

207.7

[M+Na]+

470.11449

215.5

[M-H]-

446.11799

218.4

[M+NH4]+

465.15909

215.8

[M+K]+

486.08843

208.5

[M+H-H2O]+

430.12253

197.0

[M+HCOO]-

492.12347

224.1

[M+CH3COO]-

506.13912

216.4

[M+Na-2H]-

468.09994

205.0

[M]+

447.12472

211.2

[M]-

447.12582

211.2

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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