CID 1234484

2-(4-chlorophenoxy)-n-(2,6-diisopropylphenyl)acetamide

Structural Information

Molecular Formula

C₂₀H₂₄ClNO₂

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H24ClNO2/c1-13(2)17-6-5-7-18(14(3)4)20(17)22-19(23)12-24-16-10-8-15(21)9-11-16/h5-11,13-14H,12H2,1-4H3,(H,22,23)

InChIKey

BSBKSKPHJAZVEO-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.14957 Da
Monoisotopic Mass: 5.7
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]+	346.156846	183.0
[M+Na]+	368.138788	189.1
[M-H]-	344.142294	189.4
[M+NH4]+	363.183393	197.0
[M+K]+	384.112728	184.2
[M+H-H2O]+	328.146830	175.6
[M+HCOO]-	390.147771	199.5
[M+CH3COO]-	404.163421	217.2
[M+Na-2H]-	366.124236	182.0
[M]+	345.14902142	187.3
[M]-	345.15011858	187.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.