PubChemLite - (2z,5z)-5-[(2,4-dihydroxy-6-propyl-phenyl)methylene]-3-(4-ethoxyphenyl)-2-(2-pyridylimino)thiazolidin-4-one (C26H25N3O4S)

Structural Information

Molecular Formula

SMILES

CCCC1=C(C(=CC(=C1)O)O)/C=C\2/C(=O)N(/C(=N/C3=CC=CC=N3)/S2)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C26H25N3O4S/c1-3-7-17-14-19(30)15-22(31)21(17)16-23-25(32)29(18-9-11-20(12-10-18)33-4-2)26(34-23)28-24-8-5-6-13-27-24/h5-6,8-16,30-31H,3-4,7H2,1-2H3/b23-16-,28-26-

InChIKey

FXVFKWZHTRTORJ-DUVZRXQJSA-N

Compound name

(2Z,5Z)-5-[(2,4-dihydroxy-6-propylphenyl)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]+	476.16388	215.9
[M+Na]+	498.14582	223.0
[M-H]-	474.14932	225.2
[M+NH4]+	493.19042	222.4
[M+K]+	514.11976	215.0
[M+H-H2O]+	458.15386	205.4
[M+HCOO]-	520.15480	230.0
[M+CH3COO]-	534.17045	235.1
[M+Na-2H]-	496.13127	211.4
[M]+	475.15605	218.8
[M]-	475.15715	218.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.16388

215.9

[M+Na]+

498.14582

223.0

[M-H]-

474.14932

225.2

[M+NH4]+

493.19042

222.4

[M+K]+

514.11976

215.0

[M+H-H2O]+

458.15386

205.4

[M+HCOO]-

520.15480

230.0

[M+CH3COO]-

534.17045

235.1

[M+Na-2H]-

496.13127

211.4

[M]+

475.15605

218.8

[M]-

475.15715

218.8

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-dihydroxy-6-propyl-phenyl)methylene]-3-(4-ethoxyphenyl)-2-(2-pyridylimino)thiazolidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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