PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-chlorophenyl)-4-(4-methylphenyl)-2(3h)-thiazolylidene]hydrazide (C22H18ClN5O2S)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C2=CS/C(=N\NC(=O)COC3=NC=CN=C3)/N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN5O2S/c1-15-2-4-16(5-3-15)19-14-31-22(28(19)18-8-6-17(23)7-9-18)27-26-20(29)13-30-21-12-24-10-11-25-21/h2-12,14H,13H2,1H3,(H,26,29)/b27-22-

InChIKey

XSGXMAONFYQIQG-QYQHSDTDSA-N

Compound name

N-[(Z)-[3-(4-chlorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide

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]+	452.09426	204.8
[M+Na]+	474.07620	213.9
[M-H]-	450.07970	215.7
[M+NH4]+	469.12080	212.5
[M+K]+	490.05014	205.9
[M+H-H2O]+	434.08424	193.3
[M+HCOO]-	496.08518	219.5
[M+CH3COO]-	510.10083	213.9
[M+Na-2H]-	472.06165	205.8
[M]+	451.08643	210.8
[M]-	451.08753	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

452.09426

204.8

[M+Na]+

474.07620

213.9

[M-H]-

450.07970

215.7

[M+NH4]+

469.12080

212.5

[M+K]+

490.05014

205.9

[M+H-H2O]+

434.08424

193.3

[M+HCOO]-

496.08518

219.5

[M+CH3COO]-

510.10083

213.9

[M+Na-2H]-

472.06165

205.8

[M]+

451.08643

210.8

[M]-

451.08753

210.8

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

Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-chlorophenyl)-4-(4-methylphenyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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