CID 12450582

66521-66-2

Structural Information

Molecular Formula

C₉H₈N₄

SMILES

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

InChI

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

InChIKey

LQHQKYWYKPLKCH-UHFFFAOYSA-N

Compound name

4-pyridin-3-ylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 334
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