PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-ethoxyphenyl)-4-(4-methylphenyl)-2(3h)-thiazolylidene]hydrazide (C24H23N5O3S)

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)C

InChI

InChI=1S/C24H23N5O3S/c1-3-31-20-10-8-19(9-11-20)29-21(18-6-4-17(2)5-7-18)16-33-24(29)28-27-22(30)15-32-23-14-25-12-13-26-23/h4-14,16H,3,15H2,1-2H3,(H,27,30)/b28-24-

InChIKey

SEVXZDGSNLBBRV-COOPMVRXSA-N

Compound name

N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-methylphenyl)-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]+	462.15944	209.1
[M+Na]+	484.14138	216.3
[M-H]-	460.14488	219.8
[M+NH4]+	479.18598	215.3
[M+K]+	500.11532	209.7
[M+H-H2O]+	444.14942	196.9
[M+HCOO]-	506.15036	228.0
[M+CH3COO]-	520.16601	217.6
[M+Na-2H]-	482.12683	210.0
[M]+	461.15161	214.7
[M]-	461.15271	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.15944

209.1

[M+Na]+

484.14138

216.3

[M-H]-

460.14488

219.8

[M+NH4]+

479.18598

215.3

[M+K]+

500.11532

209.7

[M+H-H2O]+

444.14942

196.9

[M+HCOO]-

506.15036

228.0

[M+CH3COO]-

520.16601

217.6

[M+Na-2H]-

482.12683

210.0

[M]+

461.15161

214.7

[M]-

461.15271

214.7

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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