PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-4-(4-chlorophenyl)-3-(4-ethoxyphenyl)-2(3h)-thiazolylidene]hydrazide (C23H20ClN5O3S)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)N\2C(=CS/C2=N\NC(=O)COC3=NC=CN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN5O3S/c1-2-31-19-9-7-18(8-10-19)29-20(16-3-5-17(24)6-4-16)15-33-23(29)28-27-21(30)14-32-22-13-25-11-12-26-22/h3-13,15H,2,14H2,1H3,(H,27,30)/b28-23-

InChIKey

JKHMEQRTIYFBIX-NFFVHWSESA-N

Compound name

N-[(Z)-[4-(4-chlorophenyl)-3-(4-ethoxyphenyl)-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]+	482.10481	210.9
[M+Na]+	504.08675	219.1
[M-H]-	480.09025	221.6
[M+NH4]+	499.13135	217.2
[M+K]+	520.06069	211.7
[M+H-H2O]+	464.09479	199.1
[M+HCOO]-	526.09573	225.5
[M+CH3COO]-	540.11138	219.4
[M+Na-2H]-	502.07220	211.8
[M]+	481.09698	218.5
[M]-	481.09808	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.10481

210.9

[M+Na]+

504.08675

219.1

[M-H]-

480.09025

221.6

[M+NH4]+

499.13135

217.2

[M+K]+

520.06069

211.7

[M+H-H2O]+

464.09479

199.1

[M+HCOO]-

526.09573

225.5

[M+CH3COO]-

540.11138

219.4

[M+Na-2H]-

502.07220

211.8

[M]+

481.09698

218.5

[M]-

481.09808

218.5

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe