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]+ 238.09346 147.1
[M+Na]+ 260.07540 157.5
[M-H]- 236.07890 149.7
[M+NH4]+ 255.12000 161.5
[M+K]+ 276.04934 154.9
[M+H-H2O]+ 220.08344 138.6
[M+HCOO]- 282.08438 166.5
[M+CH3COO]- 296.10003 159.3
[M+Na-2H]- 258.06085 151.5
[M]+ 237.08563 147.4
[M]- 237.08673 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.