PubChemLite - (2z,5z)-3-(4-ethoxyphenyl)-5-[(8-hydroxy-5-quinolyl)methylene]-2-(2-pyridylimino)thiazolidin-4-one (C26H20N4O3S)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)N\2C(=C(S/C2=N\C3=CC=CC=N3)/C=C/4\C=CC(=O)C5=C4C=CC=N5)O

InChI

InChI=1S/C26H20N4O3S/c1-2-33-19-11-9-18(10-12-19)30-25(32)22(34-26(30)29-23-7-3-4-14-27-23)16-17-8-13-21(31)24-20(17)6-5-15-28-24/h3-16,32H,2H2,1H3/b17-16+,29-26-

InChIKey

CBWOTDQNOKMKNS-AKRWRCFCSA-N

Compound name

(5E)-5-[[(2Z)-3-(4-ethoxyphenyl)-4-hydroxy-2-pyridin-2-ylimino-1,3-thiazol-5-yl]methylidene]quinolin-8-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]+	469.13288	213.4
[M+Na]+	491.11482	222.8
[M-H]-	467.11832	223.7
[M+NH4]+	486.15942	220.1
[M+K]+	507.08876	213.9
[M+H-H2O]+	451.12286	201.8
[M+HCOO]-	513.12380	228.5
[M+CH3COO]-	527.13945	221.5
[M+Na-2H]-	489.10027	213.4
[M]+	468.12505	216.6
[M]-	468.12615	216.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.13288

213.4

[M+Na]+

491.11482

222.8

[M-H]-

467.11832

223.7

[M+NH4]+

486.15942

220.1

[M+K]+

507.08876

213.9

[M+H-H2O]+

451.12286

201.8

[M+HCOO]-

513.12380

228.5

[M+CH3COO]-

527.13945

221.5

[M+Na-2H]-

489.10027

213.4

[M]+

468.12505

216.6

[M]-

468.12615

216.6

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-[(8-hydroxy-5-quinolyl)methylene]-2-(2-pyridylimino)thiazolidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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