CID 3381778

3-methyl-5-phenyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CC1=C(C(=NN1)C2=CC=CC=C2)N

InChI

InChI=1S/C10H11N3/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3,(H,12,13)

InChIKey

PXHOKIKYPZXSKW-UHFFFAOYSA-N

Compound name

5-methyl-3-phenyl-1H-pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 173.09529 Da
Monoisotopic Mass: 1.6
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]+	174.10257	136.9
[M+Na]+	196.08451	149.8
[M+NH4]+	191.12911	145.3
[M+K]+	212.05845	145.2
[M-H]-	172.08801	140.2
[M+Na-2H]-	194.06996	145.1
[M]+	173.09474	139.5
[M]-	173.09584	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe