CID 99545

8-phenyl-9h-purine-2,6-diamine

Structural Information

Molecular Formula
C11H10N6
SMILES
C1=CC=C(C=C1)C2=NC3=NC(=NC(=C3N2)N)N
InChI
InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)
InChIKey
WGJICLLGFIVHNE-UHFFFAOYSA-N
Compound name
8-phenyl-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

226.0967 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.103976 148.0
[M+Na]+ 249.085918 159.3
[M-H]- 225.089424 149.8
[M+NH4]+ 244.130523 162.2
[M+K]+ 265.059858 152.6
[M+H-H2O]+ 209.093960 138.8
[M+HCOO]- 271.094901 169.5
[M+CH3COO]- 285.110551 159.9
[M+Na-2H]- 247.071366 155.8
[M]+ 226.09615142 145.5
[M]- 226.09724858 145.5
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

patents stripe