PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)-2(3h)-thiazolylidene]hydrazide (C21H15Cl2N5O3S)

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)O

InChI

InChI=1S/C21H15Cl2N5O3S/c22-14-3-6-17(16(23)9-14)28-18(13-1-4-15(29)5-2-13)12-32-21(28)27-26-19(30)11-31-20-10-24-7-8-25-20/h1-10,12,29H,11H2,(H,26,30)/b27-21-

InChIKey

OCRRXOFNGAXYNO-MEFGMAGPSA-N

Compound name

N-[(Z)-[3-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)-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]+	488.03453	207.2
[M+Na]+	510.01647	216.8
[M-H]-	486.01997	216.6
[M+NH4]+	505.06107	213.5
[M+K]+	525.99041	208.7
[M+H-H2O]+	470.02451	196.9
[M+HCOO]-	532.02545	216.0
[M+CH3COO]-	546.04110	215.5
[M+Na-2H]-	508.00192	207.5
[M]+	487.02670	214.3
[M]-	487.02780	214.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.03453

207.2

[M+Na]+

510.01647

216.8

[M-H]-

486.01997

216.6

[M+NH4]+

505.06107

213.5

[M+K]+

525.99041

208.7

[M+H-H2O]+

470.02451

196.9

[M+HCOO]-

532.02545

216.0

[M+CH3COO]-

546.04110

215.5

[M+Na-2H]-

508.00192

207.5

[M]+

487.02670

214.3

[M]-

487.02780

214.3

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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