CID 3046974

1-propanamine, 3-((4-(4-chlorophenyl)-1-phenyl-1h-pyrazol-3-yl)oxy)-n,n-dimethyl-, monomethanesulfonate

Structural Information

Molecular Formula

C₂₀H₂₂ClN₃O

SMILES

CN(C)CCCOC1=NN(C=C1C2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3O/c1-23(2)13-8-14-25-20-18(17-11-6-7-12-19(17)21)15-24(22-20)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3

InChIKey

UJVRNBCYXNNBNL-UHFFFAOYSA-N

Compound name

3-[4-(2-chlorophenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.14514 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]+	356.152416	185.7
[M+Na]+	378.134358	193.4
[M-H]-	354.137864	193.9
[M+NH4]+	373.178963	198.6
[M+K]+	394.108298	187.4
[M+H-H2O]+	338.142400	174.9
[M+HCOO]-	400.143341	204.4
[M+CH3COO]-	414.158991	218.1
[M+Na-2H]-	376.119806	187.1
[M]+	355.14459142	191.2
[M]-	355.14568858	191.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.