CID 216899

N-(3-(2-thienyl)-5-isoxazolyl)acetamide

Structural Information

Molecular Formula

C₉H₈N₂O₂S

SMILES

CC(=O)NC1=CC(=NO1)C2=CC=CS2

InChI

InChI=1S/C9H8N2O2S/c1-6(12)10-9-5-7(11-13-9)8-3-2-4-14-8/h2-5H,1H3,(H,10,12)

InChIKey

ZYCKJBPOVUYJCA-UHFFFAOYSA-N

Compound name

N-(3-thiophen-2-yl-1,2-oxazol-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.03065 Da
Monoisotopic Mass: 1.3
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]+	209.03793	142.5
[M+Na]+	231.01987	153.1
[M-H]-	207.02337	150.4
[M+NH4]+	226.06447	163.0
[M+K]+	246.99381	151.8
[M+H-H2O]+	191.02791	136.6
[M+HCOO]-	253.02885	165.1
[M+CH3COO]-	267.04450	182.8
[M+Na-2H]-	229.00532	145.2
[M]+	208.03010	147.6
[M]-	208.03120	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe