CID 3046902

Ethanamine, n,n-dimethyl-2-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)-, monohydrochloride

Structural Information

Molecular Formula

C₁₉H₂₁N₃O

SMILES

CN(C)CCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O/c1-21(2)13-14-23-19-18(16-9-5-3-6-10-16)15-22(20-19)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3

InChIKey

MVXHSQYNINUVPF-UHFFFAOYSA-N

Compound name

2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.16846 Da
Monoisotopic Mass: 3.9
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]+	308.175736	173.3
[M+Na]+	330.157678	179.8
[M-H]-	306.161184	181.6
[M+NH4]+	325.202283	187.0
[M+K]+	346.131618	175.7
[M+H-H2O]+	290.165720	162.4
[M+HCOO]-	352.166661	197.1
[M+CH3COO]-	366.182311	184.5
[M+Na-2H]-	328.143126	176.7
[M]+	307.16791142	175.9
[M]-	307.16900858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.