PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(2,4-dichlorophenyl)-4-phenyl-2(3h)-thiazolylidene]hydrazide (C21H15Cl2N5O2S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H15Cl2N5O2S/c22-15-6-7-17(16(23)10-15)28-18(14-4-2-1-3-5-14)13-31-21(28)27-26-19(29)12-30-20-11-24-8-9-25-20/h1-11,13H,12H2,(H,26,29)/b27-21-

InChIKey

IJKMNBSTYBLPJU-MEFGMAGPSA-N

Compound name

N-[(Z)-[3-(2,4-dichlorophenyl)-4-phenyl-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]+	472.03963	205.5
[M+Na]+	494.02157	215.1
[M-H]-	470.02507	215.7
[M+NH4]+	489.06617	213.0
[M+K]+	509.99551	206.9
[M+H-H2O]+	454.02961	194.5
[M+HCOO]-	516.03055	215.4
[M+CH3COO]-	530.04620	214.2
[M+Na-2H]-	492.00702	206.3
[M]+	471.03180	212.5
[M]-	471.03290	212.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.03963

205.5

[M+Na]+

494.02157

215.1

[M-H]-

470.02507

215.7

[M+NH4]+

489.06617

213.0

[M+K]+

509.99551

206.9

[M+H-H2O]+

454.02961

194.5

[M+HCOO]-

516.03055

215.4

[M+CH3COO]-

530.04620

214.2

[M+Na-2H]-

492.00702

206.3

[M]+

471.03180

212.5

[M]-

471.03290

212.5

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-(2,4-dichlorophenyl)-4-phenyl-2(3h)-thiazolylidene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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