CID 135798542

107550-42-5

Structural Information

Molecular Formula
C15H21N5O4
SMILES
C1CCOC(C1)NC2=NC3=C(C(=O)N2)N(C=N3)OC4CCCCO4
InChI
InChI=1S/C15H21N5O4/c21-14-12-13(16-9-20(12)24-11-6-2-4-8-23-11)18-15(19-14)17-10-5-1-3-7-22-10/h9-11H,1-8H2,(H2,17,18,19,21)
InChIKey
MAEXYWOOHNJOAC-UHFFFAOYSA-N
Compound name
2-(oxan-2-ylamino)-7-(oxan-2-yloxy)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.15936 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.16664 177.1
[M+Na]+ 358.14858 188.4
[M+NH4]+ 353.19318 182.3
[M+K]+ 374.12252 185.9
[M-H]- 334.15208 182.2
[M+Na-2H]- 356.13403 181.0
[M]+ 335.15881 179.8
[M]- 335.15991 179.8
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.