CID 91716

Mefenacet

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂S

SMILES

CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3

InChIKey

XIGAUIHYSDTJHW-UHFFFAOYSA-N

Compound name

2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 36
References: 26568
Patents: 298.0776 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]+	299.08488	165.0
[M+Na]+	321.06682	178.7
[M+NH4]+	316.11142	174.0
[M+K]+	337.04076	171.1
[M-H]-	297.07032	170.0
[M+Na-2H]-	319.05227	174.0
[M]+	298.07705	168.9
[M]-	298.07815	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe