CID 3046906

Piperidine, 1-(2-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)ethyl)-, monohydrochloride

Structural Information

Molecular Formula

C₂₂H₂₅N₃O

SMILES

C1CCN(CC1)CCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-4-10-19(11-5-1)21-18-25(20-12-6-2-7-13-20)23-22(21)26-17-16-24-14-8-3-9-15-24/h1-2,4-7,10-13,18H,3,8-9,14-17H2

InChIKey

KAICFNMVYGQKPX-UHFFFAOYSA-N

Compound name

1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 347.19977 Da
Monoisotopic Mass: 4.7
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]+	348.207046	184.8
[M+Na]+	370.188988	188.8
[M-H]-	346.192494	192.0
[M+NH4]+	365.233593	194.1
[M+K]+	386.162928	182.4
[M+H-H2O]+	330.197030	171.8
[M+HCOO]-	392.197971	201.4
[M+CH3COO]-	406.213621	193.0
[M+Na-2H]-	368.174436	185.6
[M]+	347.19922142	181.1
[M]-	347.20031858	181.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.