CID 688697

61466-44-2

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3O

InChI

InChI=1S/C16H12N2O2/c19-15-9-5-4-8-14(15)16(20)12-10-17-18(11-12)13-6-2-1-3-7-13/h1-11,19H

InChIKey

WTRJNEICFURGNX-UHFFFAOYSA-N

Compound name

(2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 29
Patents: 264.08987 Da
Monoisotopic Mass: 3.4
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]+	265.09715	160.3
[M+Na]+	287.07909	175.2
[M+NH4]+	282.12369	167.9
[M+K]+	303.05303	169.9
[M-H]-	263.08259	164.7
[M+Na-2H]-	285.06454	170.4
[M]+	264.08932	163.6
[M]-	264.09042	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe