CID 135435088

123994-79-6

Structural Information

Molecular Formula
C15H11N5O
SMILES
C1=CC=C2C=C(C=CC2=C1)NC3=NC4=C(C(=O)N3)NC=N4
InChI
InChI=1S/C15H11N5O/c21-14-12-13(17-8-16-12)19-15(20-14)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,16,17,18,19,20,21)
InChIKey
YUGNFZWBAPYCBO-UHFFFAOYSA-N
Compound name
2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

277.09637 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10365 159.9
[M+Na]+ 300.08559 171.1
[M-H]- 276.08909 161.9
[M+NH4]+ 295.13019 172.7
[M+K]+ 316.05953 162.8
[M+H-H2O]+ 260.09363 150.3
[M+HCOO]- 322.09457 178.7
[M+CH3COO]- 336.11022 170.8
[M+Na-2H]- 298.07104 169.4
[M]+ 277.09582 159.0
[M]- 277.09692 159.0
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.