CID 3760805

N-(adamantan-1-yl)-2-chloro-n-[(3-methoxyphenyl)methyl]acetamide

Structural Information

Molecular Formula

C₂₀H₂₆ClNO₂

SMILES

COC1=CC=CC(=C1)CN(C(=O)CCl)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26ClNO2/c1-24-18-4-2-3-14(8-18)13-22(19(23)12-21)20-9-15-5-16(10-20)7-17(6-15)11-20/h2-4,8,15-17H,5-7,9-13H2,1H3

InChIKey

CLZPYDATKHVKSP-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)-2-chloro-N-[(3-methoxyphenyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 347.1652 Da
Monoisotopic Mass: 4.5
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]+	348.172476	181.4
[M+Na]+	370.154418	182.2
[M-H]-	346.157924	180.0
[M+NH4]+	365.199023	202.2
[M+K]+	386.128358	178.0
[M+H-H2O]+	330.162460	173.5
[M+HCOO]-	392.163401	184.1
[M+CH3COO]-	406.179051	188.0
[M+Na-2H]-	368.139866	188.5
[M]+	347.16465142	185.1
[M]-	347.16574858	185.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.