PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2(3h)-thiazolylidene]hydrazide (C21H16ClN5O3S)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CS/C(=N\NC(=O)COC3=NC=CN=C3)/N2C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C21H16ClN5O3S/c22-15-3-5-16(6-4-15)27-18(14-1-7-17(28)8-2-14)13-31-21(27)26-25-19(29)12-30-20-11-23-9-10-24-20/h1-11,13,28H,12H2,(H,25,29)/b26-21-

InChIKey

WGLXRRORPRLMPR-QLYXXIJNSA-N

Compound name

N-[(Z)-[3-(4-chlorophenyl)-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]+	454.07350	201.6
[M+Na]+	476.05544	210.4
[M-H]-	452.05894	211.5
[M+NH4]+	471.10004	208.5
[M+K]+	492.02938	202.6
[M+H-H2O]+	436.06348	190.8
[M+HCOO]-	498.06442	215.6
[M+CH3COO]-	512.08007	210.5
[M+Na-2H]-	474.04089	203.3
[M]+	453.06567	207.0
[M]-	453.06677	207.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.07350

201.6

[M+Na]+

476.05544

210.4

[M-H]-

452.05894

211.5

[M+NH4]+

471.10004

208.5

[M+K]+

492.02938

202.6

[M+H-H2O]+

436.06348

190.8

[M+HCOO]-

498.06442

215.6

[M+CH3COO]-

512.08007

210.5

[M+Na-2H]-

474.04089

203.3

[M]+

453.06567

207.0

[M]-

453.06677

207.0

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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