(2z,5z)-5-[(4-dimethylaminophenyl)methylene]-3-(4-ethoxyphenyl)-2-(2-pyridylimino)thiazolidin-4-one (C25H24N4O2S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H24N4O2S/c1-4-31-21-14-12-20(13-15-21)29-24(30)22(17-18-8-10-19(11-9-18)28(2)3)32-25(29)27-23-7-5-6-16-26-23/h5-17H,4H2,1-3H3/b22-17-,27-25-

InChIKey

BIVCQDBDLZQHQX-ZRGSSMLNSA-N

Compound name

(2Z,5Z)-5-[[4-(dimethylamino)phenyl]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]+	445.169276	209.4
[M+Na]+	467.151218	216.1
[M-H]-	443.154724	222.1
[M+NH4]+	462.195823	218.5
[M+K]+	483.125158	209.5
[M+H-H2O]+	427.159260	197.7
[M+HCOO]-	489.160201	227.9
[M+CH3COO]-	503.175851	218.3
[M+Na-2H]-	465.136666	207.0
[M]+	444.16145142	212.4
[M]-	444.16254858	212.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.169276

209.4

[M+Na]+

467.151218

216.1

[M-H]-

443.154724

222.1

[M+NH4]+

462.195823

218.5

[M+K]+

483.125158

209.5

[M+H-H2O]+

427.159260

197.7

[M+HCOO]-

489.160201

227.9

[M+CH3COO]-

503.175851

218.3

[M+Na-2H]-

465.136666

207.0

[M]+

444.16145142

212.4

[M]-

444.16254858

212.4

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe