CID 128268

Fpl 62064

Structural Information

Molecular Formula

C₁₆H₁₅N₃O

SMILES

COC1=CC=C(C=C1)NC2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O/c1-20-15-9-7-13(8-10-15)17-16-11-12-19(18-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)

InChIKey

WKLGNFJHVJIZPK-UHFFFAOYSA-N

Compound name

N-(4-methoxyphenyl)-1-phenylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 57
Patents: 265.12152 Da
Monoisotopic Mass: 3.7
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]+	266.12880	159.1
[M+Na]+	288.11074	167.0
[M-H]-	264.11424	166.7
[M+NH4]+	283.15534	174.1
[M+K]+	304.08468	162.2
[M+H-H2O]+	248.11878	149.1
[M+HCOO]-	310.11972	183.6
[M+CH3COO]-	324.13537	171.3
[M+Na-2H]-	286.09619	165.0
[M]+	265.12097	159.6
[M]-	265.12207	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe