PubChemLite - N-(4-{[2-(aza-2-pyridylmethylene)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenyl)acetamide (C25H22N4O3S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H22N4O3S/c1-3-32-21-13-11-20(12-14-21)29-24(31)22(33-25(29)28-23-6-4-5-15-26-23)16-18-7-9-19(10-8-18)27-17(2)30/h4-16H,3H2,1-2H3,(H,27,30)/b22-16-,28-25-

InChIKey

XXXUHNALVPTZHV-SVLBQRFGSA-N

Compound name

N-[4-[(Z)-[(2Z)-3-(4-ethoxyphenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide

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]+	459.14855	211.4
[M+Na]+	481.13049	217.7
[M-H]-	457.13399	222.9
[M+NH4]+	476.17509	219.1
[M+K]+	497.10443	210.5
[M+H-H2O]+	441.13853	200.0
[M+HCOO]-	503.13947	228.9
[M+CH3COO]-	517.15512	219.6
[M+Na-2H]-	479.11594	209.1
[M]+	458.14072	213.3
[M]-	458.14182	213.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.14855

211.4

[M+Na]+

481.13049

217.7

[M-H]-

457.13399

222.9

[M+NH4]+

476.17509

219.1

[M+K]+

497.10443

210.5

[M+H-H2O]+

441.13853

200.0

[M+HCOO]-

503.13947

228.9

[M+CH3COO]-

517.15512

219.6

[M+Na-2H]-

479.11594

209.1

[M]+

458.14072

213.3

[M]-

458.14182

213.3

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

N-(4-{[2-(aza-2-pyridylmethylene)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenyl)acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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