PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-2(3h)-thiazolylidene]hydrazide (C22H17Cl2N5O3S)

Structural Information

Molecular Formula

SMILES

COC1=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/C22H17Cl2N5O3S/c1-31-16-5-2-14(3-6-16)19-13-33-22(29(19)18-7-4-15(23)10-17(18)24)28-27-20(30)12-32-21-11-25-8-9-26-21/h2-11,13H,12H2,1H3,(H,27,30)/b28-22-

InChIKey

BBRXQOZWZHWNSV-SLMZUGIISA-N

Compound name

N-[(Z)-[3-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-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]+	502.05018	212.5
[M+Na]+	524.03212	222.1
[M-H]-	500.03562	223.1
[M+NH4]+	519.07672	219.0
[M+K]+	540.00606	214.6
[M+H-H2O]+	484.04016	201.5
[M+HCOO]-	546.04110	222.4
[M+CH3COO]-	560.05675	221.0
[M+Na-2H]-	522.01757	212.5
[M]+	501.04235	221.5
[M]-	501.04345	221.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.05018

212.5

[M+Na]+

524.03212

222.1

[M-H]-

500.03562

223.1

[M+NH4]+

519.07672

219.0

[M+K]+

540.00606

214.6

[M+H-H2O]+

484.04016

201.5

[M+HCOO]-

546.04110

222.4

[M+CH3COO]-

560.05675

221.0

[M+Na-2H]-

522.01757

212.5

[M]+

501.04235

221.5

[M]-

501.04345

221.5

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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