CID 473574

Chembl318601

Structural Information

Molecular Formula
C11H8Cl2N6
SMILES
C1=CC(=C(C(=C1)Cl)C2=NC3=NC(=NC(=C3N2)N)N)Cl
InChI
InChI=1S/C11H8Cl2N6/c12-4-2-1-3-5(13)6(4)9-16-7-8(14)17-11(15)19-10(7)18-9/h1-3H,(H5,14,15,16,17,18,19)
InChIKey
ZBIYAIOEBKNMQY-UHFFFAOYSA-N
Compound name
8-(2,6-dichlorophenyl)-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.01874 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.02602 162.8
[M+Na]+ 317.00796 176.4
[M-H]- 293.01146 163.9
[M+NH4]+ 312.05256 175.9
[M+K]+ 332.98190 167.7
[M+H-H2O]+ 277.01600 154.3
[M+HCOO]- 339.01694 174.1
[M+CH3COO]- 353.03259 173.7
[M+Na-2H]- 314.99341 167.2
[M]+ 294.01819 163.9
[M]- 294.01929 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.