CID 3071920

Brn 5819257

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₃

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)COC

InChI

InChI=1S/C14H16N2O3/c1-9-5-4-6-10(2)13(9)15-14(17)12-7-11(8-18-3)19-16-12/h4-7H,8H2,1-3H3,(H,15,17)

InChIKey

WLSAOSVINKQXIG-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 260.1161 Da
Monoisotopic Mass: 2.0
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]+	261.123376	159.1
[M+Na]+	283.105318	167.5
[M-H]-	259.108824	166.0
[M+NH4]+	278.149923	175.1
[M+K]+	299.079258	166.1
[M+H-H2O]+	243.113360	151.4
[M+HCOO]-	305.114301	183.0
[M+CH3COO]-	319.129951	198.5
[M+Na-2H]-	281.090766	162.6
[M]+	260.11555142	163.5
[M]-	260.11664858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe