CID 3076170

Brn 5816244

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

CCC1=CC(=NO1)C(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C14H16N2O2/c1-4-11-8-12(16-18-11)14(17)15-13-9(2)6-5-7-10(13)3/h5-8H,4H2,1-3H3,(H,15,17)

InChIKey

PRZRFAKXANJPHM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 244.12119 Da
Monoisotopic Mass: 3.1
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]+	245.128466	156.2
[M+Na]+	267.110408	164.8
[M-H]-	243.113914	163.1
[M+NH4]+	262.155013	173.0
[M+K]+	283.084348	162.8
[M+H-H2O]+	227.118450	148.7
[M+HCOO]-	289.119391	179.9
[M+CH3COO]-	303.135041	196.3
[M+Na-2H]-	265.095856	159.6
[M]+	244.12064142	159.2
[M]-	244.12173858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe