CID 135798540

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

Structural Information

Molecular Formula
C9H11N5O3
SMILES
C1CC(OC1)ON2C=NC3=C2C(=O)NC(=N3)N
InChI
InChI=1S/C9H11N5O3/c10-9-12-7-6(8(15)13-9)14(4-11-7)17-5-2-1-3-16-5/h4-5H,1-3H2,(H3,10,12,13,15)
InChIKey
QCHOMPHPZXEOQL-UHFFFAOYSA-N
Compound name
2-amino-7-(oxolan-2-yloxy)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.08618 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.093456 147.1
[M+Na]+ 260.075398 157.5
[M-H]- 236.078904 149.7
[M+NH4]+ 255.120003 161.5
[M+K]+ 276.049338 154.9
[M+H-H2O]+ 220.083440 138.6
[M+HCOO]- 282.084381 166.5
[M+CH3COO]- 296.100031 159.3
[M+Na-2H]- 258.060846 151.5
[M]+ 237.08563142 147.4
[M]- 237.08672858 147.4
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.