CID 10777254

181696-73-1

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

CC1(C(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C16H15NO2/c1-16(18)14(12-8-4-2-5-9-12)15(17-19-16)13-10-6-3-7-11-13/h2-11,14,18H,1H3

InChIKey

LOFHVOCXHGAVHL-UHFFFAOYSA-N

Compound name

5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 253.11028 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]+	254.11756	157.0
[M+Na]+	276.09950	172.2
[M+NH4]+	271.14410	167.2
[M+K]+	292.07344	164.7
[M-H]-	252.10300	163.9
[M+Na-2H]-	274.08495	168.2
[M]+	253.10973	161.4
[M]-	253.11083	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe