CID 9624104

303108-09-0

Structural Information

Molecular Formula

C₂₀H₁₉ClN₄O₂

SMILES

CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O2/c1-3-27-19-7-5-4-6-16(19)17-12-18(24-23-17)20(26)25-22-13(2)14-8-10-15(21)11-9-14/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)/b22-13+

InChIKey

HUDNTFBFRYOBAO-LPYMAVHISA-N

Compound name

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 382.11966 Da
Monoisotopic Mass: 4.3
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]+	383.126936	190.6
[M+Na]+	405.108878	197.2
[M-H]-	381.112384	197.9
[M+NH4]+	400.153483	201.2
[M+K]+	421.082818	190.7
[M+H-H2O]+	365.116920	180.3
[M+HCOO]-	427.117861	208.6
[M+CH3COO]-	441.133511	221.0
[M+Na-2H]-	403.094326	191.5
[M]+	382.11911142	193.1
[M]-	382.12020858	193.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.