CID 1246614

Brn 5820323

Structural Information

Molecular Formula

C₁₈H₁₆N₂O₂

SMILES

CC1=CC(=NO1)C(=O)NC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2/c1-13-11-17(20-22-13)18(21)19-16-10-6-5-9-15(16)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21)

InChIKey

KNDVOAMVMMCGKC-UHFFFAOYSA-N

Compound name

N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 292.1212 Da
Monoisotopic Mass: 3.9
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]+	293.128476	168.1
[M+Na]+	315.110418	175.3
[M-H]-	291.113924	177.6
[M+NH4]+	310.155023	181.9
[M+K]+	331.084358	171.7
[M+H-H2O]+	275.118460	159.0
[M+HCOO]-	337.119401	191.7
[M+CH3COO]-	351.135051	180.0
[M+Na-2H]-	313.095866	172.3
[M]+	292.12065142	169.4
[M]-	292.12174858	169.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.