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]+ 227.10398 148.0
[M+Na]+ 249.08592 159.3
[M-H]- 225.08942 149.8
[M+NH4]+ 244.13052 162.2
[M+K]+ 265.05986 152.6
[M+H-H2O]+ 209.09396 138.8
[M+HCOO]- 271.09490 169.5
[M+CH3COO]- 285.11055 159.9
[M+Na-2H]- 247.07137 155.8
[M]+ 226.09615 145.5
[M]- 226.09725 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.