CID 3044350

Brn 2991597

Structural Information

Molecular Formula

C₁₇H₁₈ClNO₂

SMILES

CC(C)(C(=O)N)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClNO2/c1-17(2,16(19)20)21-15-9-5-13(6-10-15)11-12-3-7-14(18)8-4-12/h3-10H,11H2,1-2H3,(H2,19,20)

InChIKey

FNPGYSRBGMSTRC-UHFFFAOYSA-N

Compound name

2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 303.1026 Da
Monoisotopic Mass: 4.0
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]+	304.109876	170.3
[M+Na]+	326.091818	177.7
[M-H]-	302.095324	176.5
[M+NH4]+	321.136423	185.6
[M+K]+	342.065758	172.4
[M+H-H2O]+	286.099860	163.5
[M+HCOO]-	348.100801	187.5
[M+CH3COO]-	362.116451	205.7
[M+Na-2H]-	324.077266	173.7
[M]+	303.10205142	172.9
[M]-	303.10314858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe