CID 457739

Chembl317618

Structural Information

Molecular Formula

C₁₀H₉N₇

SMILES

C1=CN=CC=C1C2=NC3=NC(=NC(=C3N2)N)N

InChI

InChI=1S/C10H9N7/c11-7-6-9(17-10(12)15-7)16-8(14-6)5-1-3-13-4-2-5/h1-4H,(H5,11,12,14,15,16,17)

InChIKey

FRFATUHEQSVWHE-UHFFFAOYSA-N

Compound name

8-pyridin-4-yl-7H-purine-2,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 227.09195 Da
Monoisotopic Mass: 0.0
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]+	228.09923	148.6
[M+Na]+	250.08117	160.4
[M-H]-	226.08467	149.4
[M+NH4]+	245.12577	161.4
[M+K]+	266.05511	153.6
[M+H-H2O]+	210.08921	139.0
[M+HCOO]-	272.09015	169.1
[M+CH3COO]-	286.10580	160.1
[M+Na-2H]-	248.06662	156.9
[M]+	227.09140	146.3
[M]-	227.09250	146.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.