CID 3043184

55227-82-2

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

CCOC1=CC(=NN1C2=CC=CC=C2)C(=O)N(C)C

InChI

InChI=1S/C14H17N3O2/c1-4-19-13-10-12(14(18)16(2)3)15-17(13)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3

InChIKey

ZUBUJMCOCPZLPK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 259.13208 Da
Monoisotopic Mass: 2.4
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]+	260.139356	159.3
[M+Na]+	282.121298	166.8
[M-H]-	258.124804	165.2
[M+NH4]+	277.165903	175.6
[M+K]+	298.095238	165.2
[M+H-H2O]+	242.129340	150.2
[M+HCOO]-	304.130281	183.0
[M+CH3COO]-	318.145931	201.2
[M+Na-2H]-	280.106746	162.0
[M]+	259.13153142	163.0
[M]-	259.13262858	163.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.