CID 3046914

Piperidine, 1-(2-((1-(4-chlorophenyl)-4-phenyl-1h-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate

Structural Information

Molecular Formula

C₂₂H₂₄ClN₃O

SMILES

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

InChI

InChI=1S/C22H24ClN3O/c23-19-9-11-20(12-10-19)26-17-21(18-7-3-1-4-8-18)22(24-26)27-16-15-25-13-5-2-6-14-25/h1,3-4,7-12,17H,2,5-6,13-16H2

InChIKey

ORLGVIZWHFLWMX-UHFFFAOYSA-N

Compound name

1-[2-[1-(4-chlorophenyl)-4-phenylpyrazol-3-yl]oxyethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 381.1608 Da
Monoisotopic Mass: 5.3
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]+	382.168076	192.8
[M+Na]+	404.150018	198.5
[M-H]-	380.153524	200.0
[M+NH4]+	399.194623	201.9
[M+K]+	420.123958	190.6
[M+H-H2O]+	364.158060	179.9
[M+HCOO]-	426.159001	204.6
[M+CH3COO]-	440.174651	200.8
[M+Na-2H]-	402.135466	192.2
[M]+	381.16025142	191.7
[M]-	381.16134858	191.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.