PubChemLite - N-[(z)-[3,4-bis(2,4-dichlorophenyl)thiazol-2-ylidene]amino]-2-pyrazin-2-yloxy-acetamide (C21H13Cl4N5O2S)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1Cl)Cl)C2=CS/C(=N\NC(=O)COC3=NC=CN=C3)/N2C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H13Cl4N5O2S/c22-12-1-3-14(15(24)7-12)18-11-33-21(30(18)17-4-2-13(23)8-16(17)25)29-28-19(31)10-32-20-9-26-5-6-27-20/h1-9,11H,10H2,(H,28,31)/b29-21-

InChIKey

KHZIUQQGCPSNAZ-ANYBSYGZSA-N

Compound name

N-[(Z)-[3,4-bis(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]+	539.96168	215.2
[M+Na]+	561.94362	225.0
[M-H]-	537.94712	222.6
[M+NH4]+	556.98822	220.6
[M+K]+	577.91756	217.9
[M+H-H2O]+	521.95166	205.1
[M+HCOO]-	583.95260	214.0
[M+CH3COO]-	597.96825	221.7
[M+Na-2H]-	559.92907	212.3
[M]+	538.95385	222.4
[M]-	538.95495	222.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.96168

215.2

[M+Na]+

561.94362

225.0

[M-H]-

537.94712

222.6

[M+NH4]+

556.98822

220.6

[M+K]+

577.91756

217.9

[M+H-H2O]+

521.95166

205.1

[M+HCOO]-

583.95260

214.0

[M+CH3COO]-

597.96825

221.7

[M+Na-2H]-

559.92907

212.3

[M]+

538.95385

222.4

[M]-

538.95495

222.4

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

N-[(z)-[3,4-bis(2,4-dichlorophenyl)thiazol-2-ylidene]amino]-2-pyrazin-2-yloxy-acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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