CID 473570

8-(2,5-dimethoxyphenyl)-9h-purine-2,6-diamine

Structural Information

Molecular Formula
C13H14N6O2
SMILES
COC1=CC(=C(C=C1)OC)C2=NC3=NC(=NC(=C3N2)N)N
InChI
InChI=1S/C13H14N6O2/c1-20-6-3-4-8(21-2)7(5-6)11-16-9-10(14)17-13(15)19-12(9)18-11/h3-5H,1-2H3,(H5,14,15,16,17,18,19)
InChIKey
FFAMOOJMNMXIFW-UHFFFAOYSA-N
Compound name
8-(2,5-dimethoxyphenyl)-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.11783 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12511 164.9
[M+Na]+ 309.10705 176.5
[M-H]- 285.11055 167.3
[M+NH4]+ 304.15165 177.0
[M+K]+ 325.08099 170.8
[M+H-H2O]+ 269.11509 155.5
[M+HCOO]- 331.11603 186.0
[M+CH3COO]- 345.13168 176.1
[M+Na-2H]- 307.09250 170.1
[M]+ 286.11728 166.5
[M]- 286.11838 166.5
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.