CID 2739480

Maybridge1_007470

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)C2=C(N=CO2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H12N2O2/c19-16(18-13-9-5-2-6-10-13)14-15(20-11-17-14)12-7-3-1-4-8-12/h1-11H,(H,18,19)

InChIKey

QZHYXBRLJHISAC-UHFFFAOYSA-N

Compound name

N,5-diphenyl-1,3-oxazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 264.08987 Da
Monoisotopic Mass: 3.2
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]+	265.097146	158.5
[M+Na]+	287.079088	165.6
[M-H]-	263.082594	167.9
[M+NH4]+	282.123693	173.1
[M+K]+	303.053028	162.5
[M+H-H2O]+	247.087130	149.5
[M+HCOO]-	309.088071	182.8
[M+CH3COO]-	323.103721	170.9
[M+Na-2H]-	285.064536	164.5
[M]+	264.08932142	158.7
[M]-	264.09041858	158.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.