CID 135465521

Schembl6448933

Structural Information

Molecular Formula

C₁₄H₁₁N₃O

SMILES

C1=CC=C(C(=C1)C2=CC=NN2C3=CC=CC=N3)O

InChI

InChI=1S/C14H11N3O/c18-13-6-2-1-5-11(13)12-8-10-16-17(12)14-7-3-4-9-15-14/h1-10,18H

InChIKey

LZCXVVIFUMOQOS-UHFFFAOYSA-N

Compound name

2-(2-pyridin-2-ylpyrazol-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 237.09021 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]+	238.09749	151.7
[M+Na]+	260.07943	161.0
[M-H]-	236.08293	156.9
[M+NH4]+	255.12403	166.1
[M+K]+	276.05337	155.6
[M+H-H2O]+	220.08747	141.9
[M+HCOO]-	282.08841	172.9
[M+CH3COO]-	296.10406	163.8
[M+Na-2H]-	258.06488	157.6
[M]+	237.08966	150.8
[M]-	237.09076	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe