CID 804450

208519-16-8

Structural Information

Molecular Formula

C₁₅H₁₃N₃

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NN3)N

InChI

InChI=1S/C15H13N3/c16-15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H3,16,17,18)

InChIKey

PMNPUUUDKHRGAH-UHFFFAOYSA-N

Compound name

5-(4-phenylphenyl)-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 235.11095 Da
Monoisotopic Mass: 3.2
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]+	236.11823	151.9
[M+Na]+	258.10017	160.1
[M-H]-	234.10367	157.8
[M+NH4]+	253.14477	167.3
[M+K]+	274.07411	153.6
[M+H-H2O]+	218.10821	142.8
[M+HCOO]-	280.10915	174.5
[M+CH3COO]-	294.12480	163.8
[M+Na-2H]-	256.08562	157.0
[M]+	235.11040	148.0
[M]-	235.11150	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe