CID 882911

36640-56-9

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₂

SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O2/c1-21-16-9-7-13(8-10-16)17-14(12-20)11-19(18-17)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3

InChIKey

HRAFYYRYVAHBEW-UHFFFAOYSA-N

Compound name

[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 5
Patents: 280.1212 Da
Monoisotopic Mass: 2.6
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]+	281.12848	166.0
[M+Na]+	303.11042	181.4
[M+NH4]+	298.15502	173.9
[M+K]+	319.08436	175.3
[M-H]-	279.11392	170.9
[M+Na-2H]-	301.09587	176.0
[M]+	280.12065	169.7
[M]-	280.12175	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe