PubChemLite - (2z,5e)-3-(4-ethoxyphenyl)-5-[(e)-3-phenylprop-2-enylidene]-2-(2-pyridylimino)thiazolidin-4-one (C25H21N3O2S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H21N3O2S/c1-2-30-21-16-14-20(15-17-21)28-24(29)22(12-8-11-19-9-4-3-5-10-19)31-25(28)27-23-13-6-7-18-26-23/h3-18H,2H2,1H3/b11-8+,22-12+,27-25-

InChIKey

ATRPBOZLVBUKJJ-RHFTXSIBSA-N

Compound name

(2Z,5E)-3-(4-ethoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-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]+	428.14272	205.6
[M+Na]+	450.12466	212.8
[M-H]-	426.12816	216.7
[M+NH4]+	445.16926	214.9
[M+K]+	466.09860	204.2
[M+H-H2O]+	410.13270	194.2
[M+HCOO]-	472.13364	223.0
[M+CH3COO]-	486.14929	214.3
[M+Na-2H]-	448.11011	203.4
[M]+	427.13489	206.8
[M]-	427.13599	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

428.14272

205.6

[M+Na]+

450.12466

212.8

[M-H]-

426.12816

216.7

[M+NH4]+

445.16926

214.9

[M+K]+

466.09860

204.2

[M+H-H2O]+

410.13270

194.2

[M+HCOO]-

472.13364

223.0

[M+CH3COO]-

486.14929

214.3

[M+Na-2H]-

448.11011

203.4

[M]+

427.13489

206.8

[M]-

427.13599

206.8

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

(2z,5e)-3-(4-ethoxyphenyl)-5-[(e)-3-phenylprop-2-enylidene]-2-(2-pyridylimino)thiazolidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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