PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(2,4-dichlorophenyl)-4-(4-methylphenyl)-2(3h)-thiazolylidene]hydrazide (C22H17Cl2N5O2S)

Structural Information

Molecular Formula

SMILES

CC1=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/C22H17Cl2N5O2S/c1-14-2-4-15(5-3-14)19-13-32-22(29(19)18-7-6-16(23)10-17(18)24)28-27-20(30)12-31-21-11-25-8-9-26-21/h2-11,13H,12H2,1H3,(H,27,30)/b28-22-

InChIKey

JYKKTKZYLAJYEN-SLMZUGIISA-N

Compound name

N-[(Z)-[3-(2,4-dichlorophenyl)-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]+	486.05528	210.8
[M+Na]+	508.03722	220.8
[M-H]-	484.04072	221.2
[M+NH4]+	503.08182	218.0
[M+K]+	524.01116	212.4
[M+H-H2O]+	468.04526	199.8
[M+HCOO]-	530.04620	220.4
[M+CH3COO]-	544.06185	219.4
[M+Na-2H]-	506.02267	210.3
[M]+	485.04745	218.5
[M]-	485.04855	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.05528

210.8

[M+Na]+

508.03722

220.8

[M-H]-

484.04072

221.2

[M+NH4]+

503.08182

218.0

[M+K]+

524.01116

212.4

[M+H-H2O]+

468.04526

199.8

[M+HCOO]-

530.04620

220.4

[M+CH3COO]-

544.06185

219.4

[M+Na-2H]-

506.02267

210.3

[M]+

485.04745

218.5

[M]-

485.04855

218.5

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-methylphenyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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