CID 209324

Pyrazole, 4-(methylamino)-1-phenyl-

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CNC1=CN(N=C1)C2=CC=CC=C2

InChI

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

InChIKey

AJBBVANCWVOOQZ-UHFFFAOYSA-N

Compound name

N-methyl-1-phenylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 173.09529 Da
Monoisotopic Mass: 1.9
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	135.1
[M+Na]+	196.08451	143.5
[M-H]-	172.08801	139.5
[M+NH4]+	191.12911	154.1
[M+K]+	212.05845	140.4
[M+H-H2O]+	156.09255	126.8
[M+HCOO]-	218.09349	160.1
[M+CH3COO]-	232.10914	148.7
[M+Na-2H]-	194.06996	142.6
[M]+	173.09474	134.3
[M]-	173.09584	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe