PubChemLite - 5-oxazoleacetamide, n-(3,4-dichlorophenyl)-2,5-dihydro-4-hydroxy-2-[(2e)-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazono]-, (2z)- (C19H16Cl2N4O5)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)/C=N/N=C\2/NC(=O)C(O2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C19H16Cl2N4O5/c1-29-15-6-10(2-5-14(15)26)9-22-25-19-24-18(28)16(30-19)8-17(27)23-11-3-4-12(20)13(21)7-11/h2-7,9,16,26H,8H2,1H3,(H,23,27)(H,24,25,28)/b22-9+

InChIKey

DTDJNPQYXXCTEN-LSFURLLWSA-N

Compound name

N-(3,4-dichlorophenyl)-2-[(2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-oxazolidin-5-yl]acetamide

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]+	451.05705	205.6
[M+Na]+	473.03899	213.2
[M-H]-	449.04249	214.6
[M+NH4]+	468.08359	214.1
[M+K]+	489.01293	208.0
[M+H-H2O]+	433.04703	197.2
[M+HCOO]-	495.04797	219.2
[M+CH3COO]-	509.06362	233.4
[M+Na-2H]-	471.02444	204.6
[M]+	450.04922	210.4
[M]-	450.05032	210.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.05705

205.6

[M+Na]+

473.03899

213.2

[M-H]-

449.04249

214.6

[M+NH4]+

468.08359

214.1

[M+K]+

489.01293

208.0

[M+H-H2O]+

433.04703

197.2

[M+HCOO]-

495.04797

219.2

[M+CH3COO]-

509.06362

233.4

[M+Na-2H]-

471.02444

204.6

[M]+

450.04922

210.4

[M]-

450.05032

210.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5-oxazoleacetamide, n-(3,4-dichlorophenyl)-2,5-dihydro-4-hydroxy-2-[(2e)-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazono]-, (2z)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe