CID 135415592

9-phenylguanine

Structural Information

Molecular Formula
C11H9N5O
SMILES
C1=CC=C(C=C1)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H9N5O/c12-11-14-9-8(10(17)15-11)13-6-16(9)7-4-2-1-3-5-7/h1-6H,(H3,12,14,15,17)
InChIKey
XOVSLVYAFGLDMS-UHFFFAOYSA-N
Compound name
2-amino-9-phenyl-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

47
Patents

227.0807 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08798 148.0
[M+Na]+ 250.06992 160.2
[M-H]- 226.07342 150.2
[M+NH4]+ 245.11452 162.6
[M+K]+ 266.04386 153.8
[M+H-H2O]+ 210.07796 138.8
[M+HCOO]- 272.07890 169.3
[M+CH3COO]- 286.09455 160.4
[M+Na-2H]- 248.05537 155.8
[M]+ 227.08015 147.6
[M]- 227.08125 147.6
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.