CID 309461

8-phenyl-9h-purin-6-amine

Structural Information

Molecular Formula
C11H9N5
SMILES
C1=CC=C(C=C1)C2=NC3=NC=NC(=C3N2)N
InChI
InChI=1S/C11H9N5/c12-9-8-11(14-6-13-9)16-10(15-8)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16)
InChIKey
KFMQOHDPKOQCMU-UHFFFAOYSA-N
Compound name
8-phenyl-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

253
Patents

211.0858 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09308 144.1
[M+Na]+ 234.07502 155.3
[M-H]- 210.07852 145.9
[M+NH4]+ 229.11962 159.2
[M+K]+ 250.04896 149.0
[M+H-H2O]+ 194.08306 134.8
[M+HCOO]- 256.08400 165.2
[M+CH3COO]- 270.09965 156.4
[M+Na-2H]- 232.06047 152.9
[M]+ 211.08525 142.7
[M]- 211.08635 142.7
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