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 174.8
[M+Na]+ 358.14858 179.8
[M-H]- 334.15208 179.2
[M+NH4]+ 353.19318 181.0
[M+K]+ 374.12252 177.3
[M+H-H2O]+ 318.15662 163.3
[M+HCOO]- 380.15756 186.4
[M+CH3COO]- 394.17321 182.8
[M+Na-2H]- 356.13403 178.3
[M]+ 335.15881 170.9
[M]- 335.15991 170.9
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.