PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-chloro-2-nitrophenyl)-4-(4-fluorophenyl)-2(3h)-thiazolylidene]hydrazide (C21H14ClFN6O4S)

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)[N+](=O)[O-])F

InChI

InChI=1S/C21H14ClFN6O4S/c22-14-3-6-16(17(9-14)29(31)32)28-18(13-1-4-15(23)5-2-13)12-34-21(28)27-26-19(30)11-33-20-10-24-7-8-25-20/h1-10,12H,11H2,(H,26,30)/b27-21-

InChIKey

MWQBMZGTFZKOOH-MEFGMAGPSA-N

Compound name

N-[(Z)-[3-(4-chloro-2-nitrophenyl)-4-(4-fluorophenyl)-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]+	501.05425	209.7
[M+Na]+	523.03619	215.9
[M-H]-	499.03969	219.2
[M+NH4]+	518.08079	213.7
[M+K]+	539.01013	204.7
[M+H-H2O]+	483.04423	201.4
[M+HCOO]-	545.04517	224.1
[M+CH3COO]-	559.06082	233.8
[M+Na-2H]-	521.02164	213.3
[M]+	500.04642	212.3
[M]-	500.04752	212.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.05425

209.7

[M+Na]+

523.03619

215.9

[M-H]-

499.03969

219.2

[M+NH4]+

518.08079

213.7

[M+K]+

539.01013

204.7

[M+H-H2O]+

483.04423

201.4

[M+HCOO]-

545.04517

224.1

[M+CH3COO]-

559.06082

233.8

[M+Na-2H]-

521.02164

213.3

[M]+

500.04642

212.3

[M]-

500.04752

212.3

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-(4-chloro-2-nitrophenyl)-4-(4-fluorophenyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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