CID 2053691

125103-42-6

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₂

SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCO

InChI

InChI=1S/C19H19N3O2/c1-14-17(19(24)20-12-13-23)18(15-8-4-2-5-9-15)21-22(14)16-10-6-3-7-11-16/h2-11,23H,12-13H2,1H3,(H,20,24)

InChIKey

BAOJPVZUZKJNCI-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 321.14774 Da
Monoisotopic Mass: 2.5
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]+	322.155016	176.0
[M+Na]+	344.136958	182.9
[M-H]-	320.140464	182.3
[M+NH4]+	339.181563	188.1
[M+K]+	360.110898	177.2
[M+H-H2O]+	304.145000	166.1
[M+HCOO]-	366.145941	197.3
[M+CH3COO]-	380.161591	207.5
[M+Na-2H]-	342.122406	178.1
[M]+	321.14719142	176.1
[M]-	321.14828858	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe