PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2(3h)-thiazolylidene]hydrazide (C24H23N5O4S)

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)OC

InChI

InChI=1S/C24H23N5O4S/c1-3-32-20-10-6-18(7-11-20)29-21(17-4-8-19(31-2)9-5-17)16-34-24(29)28-27-22(30)15-33-23-14-25-12-13-26-23/h4-14,16H,3,15H2,1-2H3,(H,27,30)/b28-24-

InChIKey

FVFHKNNWFDZIDO-COOPMVRXSA-N

Compound name

N-[(Z)-[3-(4-ethoxyphenyl)-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]+	478.15434	211.3
[M+Na]+	500.13628	218.1
[M-H]-	476.13978	222.0
[M+NH4]+	495.18088	216.7
[M+K]+	516.11022	212.3
[M+H-H2O]+	460.14432	198.9
[M+HCOO]-	522.14526	230.4
[M+CH3COO]-	536.16091	219.6
[M+Na-2H]-	498.12173	212.5
[M]+	477.14651	218.1
[M]-	477.14761	218.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

478.15434

211.3

[M+Na]+

500.13628

218.1

[M-H]-

476.13978

222.0

[M+NH4]+

495.18088

216.7

[M+K]+

516.11022

212.3

[M+H-H2O]+

460.14432

198.9

[M+HCOO]-

522.14526

230.4

[M+CH3COO]-

536.16091

219.6

[M+Na-2H]-

498.12173

212.5

[M]+

477.14651

218.1

[M]-

477.14761

218.1

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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