CID 24208961

Ethyl 1-(2,3-dimethylphenyl)-4-phenyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula

C₂₀H₂₀N₂O₂

SMILES

CCOC(=O)C1=NN(C=C1C2=CC=CC=C2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C20H20N2O2/c1-4-24-20(23)19-17(16-10-6-5-7-11-16)13-22(21-19)18-12-8-9-14(2)15(18)3/h5-13H,4H2,1-3H3

InChIKey

PHYCNCOATSRHAJ-UHFFFAOYSA-N

Compound name

ethyl 1-(2,3-dimethylphenyl)-4-phenylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.15247 Da
Monoisotopic Mass: 4.8
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]+	321.159746	177.0
[M+Na]+	343.141688	185.7
[M-H]-	319.145194	184.8
[M+NH4]+	338.186293	190.4
[M+K]+	359.115628	180.7
[M+H-H2O]+	303.149730	167.1
[M+HCOO]-	365.150671	198.4
[M+CH3COO]-	379.166321	209.0
[M+Na-2H]-	341.127136	177.4
[M]+	320.15192142	180.3
[M]-	320.15301858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.