PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-chlorophenyl)-4-(4-fluorophenyl)-2(3h)-thiazolylidene]hydrazide (C21H15ClFN5O2S)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CS/C(=N\NC(=O)COC3=NC=CN=C3)/N2C4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C21H15ClFN5O2S/c22-15-3-7-17(8-4-15)28-18(14-1-5-16(23)6-2-14)13-31-21(28)27-26-19(29)12-30-20-11-24-9-10-25-20/h1-11,13H,12H2,(H,26,29)/b27-21-

InChIKey

VCQPNPAFJJRFNQ-MEFGMAGPSA-N

Compound name

N-[(Z)-[3-(4-chlorophenyl)-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]+	456.06918	202.2
[M+Na]+	478.05112	211.8
[M-H]-	454.05462	211.9
[M+NH4]+	473.09572	209.7
[M+K]+	494.02506	203.5
[M+H-H2O]+	438.05916	190.0
[M+HCOO]-	500.06010	216.3
[M+CH3COO]-	514.07575	211.2
[M+Na-2H]-	476.03657	203.3
[M]+	455.06135	207.1
[M]-	455.06245	207.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

456.06918

202.2

[M+Na]+

478.05112

211.8

[M-H]-

454.05462

211.9

[M+NH4]+

473.09572

209.7

[M+K]+

494.02506

203.5

[M+H-H2O]+

438.05916

190.0

[M+HCOO]-

500.06010

216.3

[M+CH3COO]-

514.07575

211.2

[M+Na-2H]-

476.03657

203.3

[M]+

455.06135

207.1

[M]-

455.06245

207.1

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-chlorophenyl)-4-(4-fluorophenyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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