CID 205002

2-(butylamino)-n-(2,6-dimethyl-4-phenoxyphenyl)acetamide

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₂

SMILES

CCCCNCC(=O)NC1=C(C=C(C=C1C)OC2=CC=CC=C2)C

InChI

InChI=1S/C20H26N2O2/c1-4-5-11-21-14-19(23)22-20-15(2)12-18(13-16(20)3)24-17-9-7-6-8-10-17/h6-10,12-13,21H,4-5,11,14H2,1-3H3,(H,22,23)

InChIKey

ACHVLZYHSBVJGX-UHFFFAOYSA-N

Compound name

2-(butylamino)-N-(2,6-dimethyl-4-phenoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.19943 Da
Monoisotopic Mass: 4.2
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]+	327.206706	180.8
[M+Na]+	349.188648	185.7
[M-H]-	325.192154	187.1
[M+NH4]+	344.233253	194.4
[M+K]+	365.162588	181.6
[M+H-H2O]+	309.196690	171.8
[M+HCOO]-	371.197631	204.8
[M+CH3COO]-	385.213281	216.9
[M+Na-2H]-	347.174096	183.0
[M]+	326.19888142	183.2
[M]-	326.19997858	183.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.