CID 332757

Hms2522c11

Structural Information

Molecular Formula

C₂₀H₁₉N₃O₃

SMILES

CCOC1=CC=C(C=C1)C=NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3O3/c1-3-25-17-11-9-15(10-12-17)13-21-22-20(24)18-14(2)26-23-19(18)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,22,24)

InChIKey

CRTZYGFKZXHLNS-UHFFFAOYSA-N

Compound name

N-[(4-ethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 349.14264 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

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]+	350.149916	183.8
[M+Na]+	372.131858	190.5
[M-H]-	348.135364	194.6
[M+NH4]+	367.176463	195.6
[M+K]+	388.105798	187.5
[M+H-H2O]+	332.139900	173.5
[M+HCOO]-	394.140841	209.5
[M+CH3COO]-	408.156491	218.5
[M+Na-2H]-	370.117306	187.1
[M]+	349.14209142	187.8
[M]-	349.14318858	187.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.