CID 139703

14224-99-8

Structural Information

Molecular Formula

C₁₆H₁₃NO

SMILES

CC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3

InChIKey

QLQIWRCWPJRJJA-UHFFFAOYSA-N

Compound name

2-methyl-4,5-diphenyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 171
Patents: 235.09972 Da
Monoisotopic Mass: 4.8
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]+	236.10700	151.5
[M+Na]+	258.08894	160.7
[M-H]-	234.09244	161.2
[M+NH4]+	253.13354	168.3
[M+K]+	274.06288	157.2
[M+H-H2O]+	218.09698	143.3
[M+HCOO]-	280.09792	175.5
[M+CH3COO]-	294.11357	165.2
[M+Na-2H]-	256.07439	157.5
[M]+	235.09917	152.8
[M]-	235.10027	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe