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

literature stripe

Patent stripe

patents stripe