CID 3046982

1-propanamine, 3-((1-(4-chlorophenyl)-4-(4-methoxyphenyl)-1h-pyrazol-3-yl)oxy)-n,n-dimethyl-,monohydrochloride

Structural Information

Molecular Formula

C₂₁H₂₄ClN₃O₂

SMILES

CN(C)CCCOC1=NN(C=C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-24(2)13-4-14-27-21-20(16-5-11-19(26-3)12-6-16)15-25(23-21)18-9-7-17(22)8-10-18/h5-12,15H,4,13-14H2,1-3H3

InChIKey

PCDFOPVUCUWHKK-UHFFFAOYSA-N

Compound name

3-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 385.1557 Da
Monoisotopic Mass: 4.8
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]+	386.162976	193.2
[M+Na]+	408.144918	201.2
[M-H]-	384.148424	201.7
[M+NH4]+	403.189523	205.1
[M+K]+	424.118858	195.7
[M+H-H2O]+	368.152960	182.4
[M+HCOO]-	430.153901	211.7
[M+CH3COO]-	444.169551	224.2
[M+Na-2H]-	406.130366	193.5
[M]+	385.15515142	200.9
[M]-	385.15624858	200.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.