CID 135480604

Schembl9464079

Structural Information

Molecular Formula
C15H25N5O4
SMILES
CC(C)OCC(COC(C)C)OCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C15H25N5O4/c1-9(2)22-5-11(6-23-10(3)4)24-8-20-7-17-12-13(20)18-15(16)19-14(12)21/h7,9-11H,5-6,8H2,1-4H3,(H3,16,18,19,21)
InChIKey
SDJXMILUQKFPLV-UHFFFAOYSA-N
Compound name
2-amino-9-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

339.19064 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19792 179.6
[M+Na]+ 362.17986 186.8
[M-H]- 338.18336 177.7
[M+NH4]+ 357.22446 189.5
[M+K]+ 378.15380 184.3
[M+H-H2O]+ 322.18790 170.4
[M+HCOO]- 384.18884 195.8
[M+CH3COO]- 398.20449 213.2
[M+Na-2H]- 360.16531 180.0
[M]+ 339.19009 185.3
[M]- 339.19119 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe