CID 21670

3-(p-chlorophenyl)-5-(piperidinomethyl)isoxazole hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₇ClN₂O

SMILES

C1CCN(CC1)CC2=CC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H17ClN2O/c16-13-6-4-12(5-7-13)15-10-14(19-17-15)11-18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2

InChIKey

SJUOHIHCJFYRNR-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 276.10294 Da
Monoisotopic Mass: 3.4
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]+	277.110216	163.8
[M+Na]+	299.092158	170.7
[M-H]-	275.095664	170.4
[M+NH4]+	294.136763	177.9
[M+K]+	315.066098	166.2
[M+H-H2O]+	259.100200	154.3
[M+HCOO]-	321.101141	177.4
[M+CH3COO]-	335.116791	174.7
[M+Na-2H]-	297.077606	166.1
[M]+	276.10239142	162.8
[M]-	276.10348858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.