PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)-2(3h)-thiazolylidene]hydrazide (C22H18ClN5O3S)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=CS/C(=N\NC(=O)COC3=NC=CN=C3)/N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN5O3S/c1-30-18-8-2-15(3-9-18)19-14-32-22(28(19)17-6-4-16(23)5-7-17)27-26-20(29)13-31-21-12-24-10-11-25-21/h2-12,14H,13H2,1H3,(H,26,29)/b27-22-

InChIKey

VBQDKJMNPWVCOJ-QYQHSDTDSA-N

Compound name

N-[(Z)-[3-(4-chlorophenyl)-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]+	468.08916	206.9
[M+Na]+	490.07110	215.6
[M-H]-	466.07460	217.8
[M+NH4]+	485.11570	213.8
[M+K]+	506.04504	208.4
[M+H-H2O]+	450.07914	195.3
[M+HCOO]-	512.08008	221.9
[M+CH3COO]-	526.09573	215.8
[M+Na-2H]-	488.05655	208.2
[M]+	467.08133	214.2
[M]-	467.08243	214.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.08916

206.9

[M+Na]+

490.07110

215.6

[M-H]-

466.07460

217.8

[M+NH4]+

485.11570

213.8

[M+K]+

506.04504

208.4

[M+H-H2O]+

450.07914

195.3

[M+HCOO]-

512.08008

221.9

[M+CH3COO]-

526.09573

215.8

[M+Na-2H]-

488.05655

208.2

[M]+

467.08133

214.2

[M]-

467.08243

214.2

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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