CID 6450826

Pethoxamid

Structural Information

Molecular Formula

C₁₆H₂₂ClNO₂

SMILES

CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1

InChI

InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3

InChIKey

CSWIKHNSBZVWNQ-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 3
References: 12832
Patents: 295.1339 Da
Monoisotopic Mass: 3.5
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]+	296.14118	170.0
[M+Na]+	318.12312	180.4
[M+NH4]+	313.16772	177.0
[M+K]+	334.09706	174.0
[M-H]-	294.12662	171.6
[M+Na-2H]-	316.10857	174.7
[M]+	295.13335	172.0
[M]-	295.13445	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe