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]+ 336.166636 174.8
[M+Na]+ 358.148578 179.8
[M-H]- 334.152084 179.2
[M+NH4]+ 353.193183 181.0
[M+K]+ 374.122518 177.3
[M+H-H2O]+ 318.156620 163.3
[M+HCOO]- 380.157561 186.4
[M+CH3COO]- 394.173211 182.8
[M+Na-2H]- 356.134026 178.3
[M]+ 335.15881142 170.9
[M]- 335.15990858 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.