CID 4104650

60986-88-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC

InChI

InChI=1S/C12H12N2O2/c1-8-10(12(15)13-2)11(14-16-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15)

InChIKey

DCKOQOHEZADEJX-UHFFFAOYSA-N

Compound name

N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 216.08987 Da
Monoisotopic Mass: 1.7
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]+	217.09715	147.5
[M+Na]+	239.07909	160.2
[M+NH4]+	234.12369	155.2
[M+K]+	255.05303	156.4
[M-H]-	215.08259	152.1
[M+Na-2H]-	237.06454	154.7
[M]+	216.08932	150.5
[M]-	216.09042	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe