CID 684746

1-benzyl-3-phenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₁₆H₁₅N₃

SMILES

C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=CC=C3)N

InChI

InChI=1S/C16H15N3/c17-16-11-15(14-9-5-2-6-10-14)18-19(16)12-13-7-3-1-4-8-13/h1-11H,12,17H2

InChIKey

XMEAHPOVYFOANY-UHFFFAOYSA-N

Compound name

2-benzyl-5-phenylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 38
Patents: 249.1266 Da
Monoisotopic Mass: 3.1
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]+	250.13388	158.3
[M+Na]+	272.11582	173.6
[M+NH4]+	267.16042	167.2
[M+K]+	288.08976	166.7
[M-H]-	248.11932	164.7
[M+Na-2H]-	270.10127	169.6
[M]+	249.12605	162.4
[M]-	249.12715	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe