CID 3071919

Brn 5820716

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)C(=O)C

InChI

InChI=1S/C14H14N2O3/c1-8-5-4-6-9(2)13(8)15-14(18)11-7-12(10(3)17)19-16-11/h4-7H,1-3H3,(H,15,18)

InChIKey

CXLWJZPKJKFJTQ-UHFFFAOYSA-N

Compound name

5-acetyl-N-(2,6-dimethylphenyl)-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.10043 Da
Monoisotopic Mass: 2.3
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]+	259.107706	158.3
[M+Na]+	281.089648	166.7
[M-H]-	257.093154	165.3
[M+NH4]+	276.134253	174.1
[M+K]+	297.063588	165.2
[M+H-H2O]+	241.097690	150.8
[M+HCOO]-	303.098631	181.3
[M+CH3COO]-	317.114281	198.6
[M+Na-2H]-	279.075096	160.5
[M]+	258.09988142	161.3
[M]-	258.10097858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.