CID 3007555

107658-69-5

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₂

SMILES

CC1=CC=CC=C1C(=O)C(CN2C=NC=N2)(C3=CC=CC=C3C)O

InChI

InChI=1S/C19H19N3O2/c1-14-7-3-5-9-16(14)18(23)19(24,11-22-13-20-12-21-22)17-10-6-4-8-15(17)2/h3-10,12-13,24H,11H2,1-2H3

InChIKey

PIKNGUXIZKFPKE-UHFFFAOYSA-N

Compound name

2-hydroxy-1,2-bis(2-methylphenyl)-3-(1,2,4-triazol-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 321.14774 Da
Monoisotopic Mass: 2.9
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	177.1
[M+Na]+	344.136958	184.2
[M-H]-	320.140464	181.9
[M+NH4]+	339.181563	187.7
[M+K]+	360.110898	178.8
[M+H-H2O]+	304.145000	167.0
[M+HCOO]-	366.145941	194.2
[M+CH3COO]-	380.161591	205.1
[M+Na-2H]-	342.122406	180.0
[M]+	321.14719142	177.4
[M]-	321.14828858	177.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.