CID 473573

8-(3,4-dichlorophenyl)-9h-purine-2,6-diamine

Structural Information

Molecular Formula
C11H8Cl2N6
SMILES
C1=CC(=C(C=C1C2=NC3=NC(=NC(=C3N2)N)N)Cl)Cl
InChI
InChI=1S/C11H8Cl2N6/c12-5-2-1-4(3-6(5)13)9-16-7-8(14)17-11(15)19-10(7)18-9/h1-3H,(H5,14,15,16,17,18,19)
InChIKey
GZDRYQKQDXYCQK-UHFFFAOYSA-N
Compound name
8-(3,4-dichlorophenyl)-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
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

patents stripe