CID 3007581

107658-96-8

Structural Information

Molecular Formula

C₁₅H₁₃N₅O₂

SMILES

C1=CC=NC(=C1)C(=O)C(CN2C=NC=N2)(C3=CC=CC=N3)O

InChI

InChI=1S/C15H13N5O2/c21-14(12-5-1-3-7-17-12)15(22,9-20-11-16-10-19-20)13-6-2-4-8-18-13/h1-8,10-11,22H,9H2

InChIKey

QKIHBOAEBBTGJI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 295.10693 Da
Monoisotopic Mass: 0.4
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]+	296.11421	167.0
[M+Na]+	318.09615	173.9
[M-H]-	294.09965	169.0
[M+NH4]+	313.14075	175.3
[M+K]+	334.07009	168.8
[M+H-H2O]+	278.10419	155.6
[M+HCOO]-	340.10513	182.6
[M+CH3COO]-	354.12078	176.2
[M+Na-2H]-	316.08160	173.5
[M]+	295.10638	166.0
[M]-	295.10748	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe