CID 1049152

2-(4-chloro-3,5-dimethylphenoxy)-n-(2,6-diisopropylphenyl)acetamide

Structural Information

Molecular Formula

C₂₂H₂₈ClNO₂

SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C22H28ClNO2/c1-13(2)18-8-7-9-19(14(3)4)22(18)24-20(25)12-26-17-10-15(5)21(23)16(6)11-17/h7-11,13-14H,12H2,1-6H3,(H,24,25)

InChIKey

DJQVSMMIWGCSRZ-UHFFFAOYSA-N

Compound name

2-(4-chloro-3,5-dimethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 373.18085 Da
Monoisotopic Mass: 6.4
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]+	374.188126	190.9
[M+Na]+	396.170068	198.0
[M-H]-	372.173574	197.7
[M+NH4]+	391.214673	204.4
[M+K]+	412.144008	192.9
[M+H-H2O]+	356.178110	183.7
[M+HCOO]-	418.179051	206.7
[M+CH3COO]-	432.194701	225.6
[M+Na-2H]-	394.155516	187.5
[M]+	373.18030142	196.8
[M]-	373.18139858	196.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.