CID 24212701

Ethyl 1-(5-chloro-2-methylphenyl)-3-phenyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula

C₁₉H₁₇ClN₂O₂

SMILES

CCOC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C19H17ClN2O2/c1-3-24-19(23)16-12-22(17-11-15(20)10-9-13(17)2)21-18(16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3

InChIKey

NRFXLSPJHPSINU-UHFFFAOYSA-N

Compound name

ethyl 1-(5-chloro-2-methylphenyl)-3-phenylpyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.09787 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]+	341.105146	179.4
[M+Na]+	363.087088	189.3
[M-H]-	339.090594	187.1
[M+NH4]+	358.131693	192.9
[M+K]+	379.061028	182.9
[M+H-H2O]+	323.095130	169.8
[M+HCOO]-	385.096071	196.4
[M+CH3COO]-	399.111721	190.8
[M+Na-2H]-	361.072536	179.8
[M]+	340.09732142	184.5
[M]-	340.09841858	184.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.