CID 2804233

61310-29-0

Structural Information

Molecular Formula

C₉H₈N₄

SMILES

C1=CN=CC=C1C2=NC=CC(=N2)N

InChI

InChI=1S/C9H8N4/c10-8-3-6-12-9(13-8)7-1-4-11-5-2-7/h1-6H,(H2,10,12,13)

InChIKey

AFNZWLWIUXHAIW-UHFFFAOYSA-N

Compound name

2-pyridin-4-ylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 64
Patents: 172.07489 Da
Monoisotopic Mass: 0.4
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]+	173.08217	135.4
[M+Na]+	195.06411	144.5
[M-H]-	171.06761	137.9
[M+NH4]+	190.10871	150.9
[M+K]+	211.03805	140.4
[M+H-H2O]+	155.07215	126.2
[M+HCOO]-	217.07309	157.8
[M+CH3COO]-	231.08874	148.1
[M+Na-2H]-	193.04956	145.2
[M]+	172.07434	132.9
[M]-	172.07544	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe