CID 3047022

1-propanamine, 3-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)-n-(1-methylethyl)-, monomethanesulfonate

Structural Information

Molecular Formula

C₂₁H₂₅N₃O

SMILES

CC(C)NCCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c1-17(2)22-14-9-15-25-21-20(18-10-5-3-6-11-18)16-24(23-21)19-12-7-4-8-13-19/h3-8,10-13,16-17,22H,9,14-15H2,1-2H3

InChIKey

BBMFKICVFKGOIK-UHFFFAOYSA-N

Compound name

3-(1,4-diphenylpyrazol-3-yl)oxy-N-propan-2-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.19977 Da
Monoisotopic Mass: 4.5
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]+	336.207046	182.0
[M+Na]+	358.188988	187.2
[M-H]-	334.192494	188.7
[M+NH4]+	353.233593	193.9
[M+K]+	374.162928	181.8
[M+H-H2O]+	318.197030	171.1
[M+HCOO]-	380.197971	203.7
[M+CH3COO]-	394.213621	213.9
[M+Na-2H]-	356.174436	184.1
[M]+	335.19922142	183.5
[M]-	335.20031858	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.