CID 202779

13288-83-0

Structural Information

Molecular Formula

C₁₅H₁₄N₄

SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)N)N

InChI

InChI=1S/C15H14N4/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h1-10H,16-17H2

InChIKey

HZNCNTSMTYTUSA-UHFFFAOYSA-N

Compound name

5-(4-aminophenyl)-2-phenylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2
Patents: 250.12184 Da
Monoisotopic Mass: 2.5
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]+	251.12912	157.7
[M+Na]+	273.11106	171.9
[M+NH4]+	268.15566	166.0
[M+K]+	289.08500	166.2
[M-H]-	249.11456	164.3
[M+Na-2H]-	271.09651	168.2
[M]+	250.12129	161.5
[M]-	250.12239	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe