CID 3043183

55227-81-1

Structural Information

Molecular Formula

C₁₇H₂₃N₃O₂

SMILES

CCCCCOC1=CC(=NN1C2=CC=CC=C2)C(=O)N(C)C

InChI

InChI=1S/C17H23N3O2/c1-4-5-9-12-22-16-13-15(17(21)19(2)3)18-20(16)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3

InChIKey

OGBLRSUWNPZVTI-UHFFFAOYSA-N

Compound name

N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 301.17902 Da
Monoisotopic Mass: 3.8
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]+	302.186296	173.1
[M+Na]+	324.168238	179.3
[M-H]-	300.171744	178.4
[M+NH4]+	319.212843	187.6
[M+K]+	340.142178	177.0
[M+H-H2O]+	284.176280	163.4
[M+HCOO]-	346.177221	195.8
[M+CH3COO]-	360.192871	210.1
[M+Na-2H]-	322.153686	174.2
[M]+	301.17847142	177.8
[M]-	301.17956858	177.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.