PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2(3h)-thiazolylidene]hydrazide (C21H14Cl3N5O2S)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1N\2C(=CS/C2=N\NC(=O)COC3=NC=CN=C3)C4=C(C=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C21H14Cl3N5O2S/c22-13-1-4-15(5-2-13)29-18(16-6-3-14(23)9-17(16)24)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

RIOCMDAKSGURIW-HFTWOUSFSA-N

Compound name

N-[(Z)-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-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]+	506.00066	210.6
[M+Na]+	527.98260	220.6
[M-H]-	503.98610	219.7
[M+NH4]+	523.02720	217.2
[M+K]+	543.95654	212.6
[M+H-H2O]+	487.99064	200.0
[M+HCOO]-	549.99158	215.0
[M+CH3COO]-	564.00723	218.4
[M+Na-2H]-	525.96805	209.7
[M]+	504.99283	218.2
[M]-	504.99393	218.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.00066

210.6

[M+Na]+

527.98260

220.6

[M-H]-

503.98610

219.7

[M+NH4]+

523.02720

217.2

[M+K]+

543.95654

212.6

[M+H-H2O]+

487.99064

200.0

[M+HCOO]-

549.99158

215.0

[M+CH3COO]-

564.00723

218.4

[M+Na-2H]-

525.96805

209.7

[M]+

504.99283

218.2

[M]-

504.99393

218.2

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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