CID 26997

A 1212

Structural Information

Molecular Formula

C₂₁H₂₈N₂O₂

SMILES

CCCCNCC(=O)NC1=C(C=C(C=C1C)OCC2=CC=CC=C2)C

InChI

InChI=1S/C21H28N2O2/c1-4-5-11-22-14-20(24)23-21-16(2)12-19(13-17(21)3)25-15-18-9-7-6-8-10-18/h6-10,12-13,22H,4-5,11,14-15H2,1-3H3,(H,23,24)

InChIKey

VKPAYJXKEGTJKO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.2151 Da
Monoisotopic Mass: 4.1
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]+	341.222376	185.3
[M+Na]+	363.204318	189.8
[M-H]-	339.207824	191.4
[M+NH4]+	358.248923	198.3
[M+K]+	379.178258	185.4
[M+H-H2O]+	323.212360	176.1
[M+HCOO]-	385.213301	208.9
[M+CH3COO]-	399.228951	219.9
[M+Na-2H]-	361.189766	187.0
[M]+	340.21455142	188.0
[M]-	340.21564858	188.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe