PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-ethoxyphenyl)-4-(4-hydroxyphenyl)-2(3h)-thiazolylidene]hydrazide (C23H21N5O4S)

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)O

InChI

InChI=1S/C23H21N5O4S/c1-2-31-19-9-5-17(6-10-19)28-20(16-3-7-18(29)8-4-16)15-33-23(28)27-26-21(30)14-32-22-13-24-11-12-25-22/h3-13,15,29H,2,14H2,1H3,(H,26,30)/b27-23-

InChIKey

VHIDFQTVORGPKB-VYIQYICTSA-N

Compound name

N-[(Z)-[3-(4-ethoxyphenyl)-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]+	464.13872	206.2
[M+Na]+	486.12066	213.0
[M-H]-	462.12416	215.9
[M+NH4]+	481.16526	211.5
[M+K]+	502.09460	206.7
[M+H-H2O]+	446.12870	194.5
[M+HCOO]-	508.12964	224.2
[M+CH3COO]-	522.14529	214.4
[M+Na-2H]-	484.10611	207.7
[M]+	463.13089	211.1
[M]-	463.13199	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.13872

206.2

[M+Na]+

486.12066

213.0

[M-H]-

462.12416

215.9

[M+NH4]+

481.16526

211.5

[M+K]+

502.09460

206.7

[M+H-H2O]+

446.12870

194.5

[M+HCOO]-

508.12964

224.2

[M+CH3COO]-

522.14529

214.4

[M+Na-2H]-

484.10611

207.7

[M]+

463.13089

211.1

[M]-

463.13199

211.1

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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