CID 3073021

145441-01-6

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C13H14N2O2/c1-9-8-12(15-17-9)13(16)14-10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,16)

InChIKey

GWRNZKZNEMXLEA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.10553 Da
Monoisotopic Mass: 2.1
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]+	231.112806	152.2
[M+Na]+	253.094748	159.0
[M-H]-	229.098254	158.5
[M+NH4]+	248.139353	168.7
[M+K]+	269.068688	157.7
[M+H-H2O]+	213.102790	144.4
[M+HCOO]-	275.103731	175.1
[M+CH3COO]-	289.119381	191.8
[M+Na-2H]-	251.080196	156.3
[M]+	230.10498142	153.3
[M]-	230.10607858	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe