CID 26962

Brn 2772670

Structural Information

Molecular Formula

C₂₁H₂₈N₂O₂

SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-5-23(6-2)14-20(24)22-21-16(3)12-19(13-17(21)4)25-15-18-10-8-7-9-11-18/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)

InChIKey

OGLNXHQYKVJPCK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 340.2151 Da
Monoisotopic Mass: 3.7
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	185.8
[M+Na]+	363.204318	190.4
[M-H]-	339.207824	193.3
[M+NH4]+	358.248923	199.4
[M+K]+	379.178258	187.4
[M+H-H2O]+	323.212360	176.4
[M+HCOO]-	385.213301	209.9
[M+CH3COO]-	399.228951	223.2
[M+Na-2H]-	361.189766	186.6
[M]+	340.21455142	189.7
[M]-	340.21564858	189.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe