CID 135798541

2-((tetrahydro-2-furanyl)amino)-7-((tetrahydro-2-furanyl)oxy)-1,7-dihydro-6h-purin-6-one

Structural Information

Molecular Formula
C13H17N5O4
SMILES
C1CC(OC1)NC2=NC3=C(C(=O)N2)N(C=N3)OC4CCCO4
InChI
InChI=1S/C13H17N5O4/c19-12-10-11(14-7-18(10)22-9-4-2-6-21-9)16-13(17-12)15-8-3-1-5-20-8/h7-9H,1-6H2,(H2,15,16,17,19)
InChIKey
KTFNKZCNQOEBNI-UHFFFAOYSA-N
Compound name
2-(oxolan-2-ylamino)-7-(oxolan-2-yloxy)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12805 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13533 162.2
[M+Na]+ 330.11727 169.5
[M-H]- 306.12077 168.7
[M+NH4]+ 325.16187 173.8
[M+K]+ 346.09121 168.6
[M+H-H2O]+ 290.12531 153.9
[M+HCOO]- 352.12625 179.4
[M+CH3COO]- 366.14190 173.0
[M+Na-2H]- 328.10272 163.1
[M]+ 307.12750 162.6
[M]- 307.12860 162.6
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.