CID 2517662

2-chloro-n-[3-(4-ethylphenyl)-1-phenyl-1h-pyrazol-5-yl]acetamide

Structural Information

Molecular Formula

C₁₉H₁₈ClN₃O

SMILES

CCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCl)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3O/c1-2-14-8-10-15(11-9-14)17-12-18(21-19(24)13-20)23(22-17)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,21,24)

InChIKey

DFVHSWOPUFDOET-UHFFFAOYSA-N

Compound name

2-chloro-N-[3-(4-ethylphenyl)-1-phenylpyrazol-5-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.11383 Da
Monoisotopic Mass: 4.5
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]+	340.121106	180.6
[M+Na]+	362.103048	188.8
[M-H]-	338.106554	187.8
[M+NH4]+	357.147653	193.5
[M+K]+	378.076988	181.6
[M+H-H2O]+	322.111090	170.6
[M+HCOO]-	384.112031	198.4
[M+CH3COO]-	398.127681	191.1
[M+Na-2H]-	360.088496	182.3
[M]+	339.11328142	183.3
[M]-	339.11437858	183.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.