CID 3007542

107658-57-1

Structural Information

Molecular Formula

C₁₇H₁₅N₃O₂

SMILES

C1=CC=C(C=C1)C(=O)C(CN2C=NC=N2)(C3=CC=CC=C3)O

InChI

InChI=1S/C17H15N3O2/c21-16(14-7-3-1-4-8-14)17(22,11-20-13-18-12-19-20)15-9-5-2-6-10-15/h1-10,12-13,22H,11H2

InChIKey

AVUAAOVIRAEOSW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 293.11642 Da
Monoisotopic Mass: 2.2
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]+	294.12370	167.5
[M+Na]+	316.10564	173.6
[M-H]-	292.10914	171.8
[M+NH4]+	311.15024	178.6
[M+K]+	332.07958	168.6
[M+H-H2O]+	276.11368	157.3
[M+HCOO]-	338.11462	185.3
[M+CH3COO]-	352.13027	177.4
[M+Na-2H]-	314.09109	172.9
[M]+	293.11587	166.3
[M]-	293.11697	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe