PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(2,4-dichlorophenyl)-4-(4-fluorophenyl)-2(3h)-thiazolylidene]hydrazide (C21H14Cl2FN5O2S)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CS/C(=N\NC(=O)COC3=NC=CN=C3)/N2C4=C(C=C(C=C4)Cl)Cl)F

InChI

InChI=1S/C21H14Cl2FN5O2S/c22-14-3-6-17(16(23)9-14)29-18(13-1-4-15(24)5-2-13)12-32-21(29)28-27-19(30)11-31-20-10-25-7-8-26-20/h1-10,12H,11H2,(H,27,30)/b28-21-

InChIKey

PQFMCBMJTKCKCR-HFTWOUSFSA-N

Compound name

N-[(Z)-[3-(2,4-dichlorophenyl)-4-(4-fluorophenyl)-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]+	490.03020	207.8
[M+Na]+	512.01214	218.3
[M-H]-	488.01564	217.1
[M+NH4]+	507.05674	214.8
[M+K]+	527.98608	209.6
[M+H-H2O]+	472.02018	196.1
[M+HCOO]-	534.02112	216.8
[M+CH3COO]-	548.03677	216.3
[M+Na-2H]-	509.99759	207.5
[M]+	489.02237	214.5
[M]-	489.02347	214.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.03020

207.8

[M+Na]+

512.01214

218.3

[M-H]-

488.01564

217.1

[M+NH4]+

507.05674

214.8

[M+K]+

527.98608

209.6

[M+H-H2O]+

472.02018

196.1

[M+HCOO]-

534.02112

216.8

[M+CH3COO]-

548.03677

216.3

[M+Na-2H]-

509.99759

207.5

[M]+

489.02237

214.5

[M]-

489.02347

214.5

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-(4-fluorophenyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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