CID 121407

Tradon l

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CCN(CC)C1=NC(=O)C(O1)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O2/c1-3-15(4-2)13-14-12(16)11(17-13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3

InChIKey

NLLUMJUXYNCDIS-UHFFFAOYSA-N

Compound name

2-(diethylamino)-5-phenyl-1,3-oxazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 232.12119 Da
Monoisotopic Mass: 2.2
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]+	233.12847	152.8
[M+Na]+	255.11041	165.0
[M+NH4]+	250.15501	160.7
[M+K]+	271.08435	160.8
[M-H]-	231.11391	157.7
[M+Na-2H]-	253.09586	159.5
[M]+	232.12064	155.8
[M]-	232.12174	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe