CID 154700082

Ns00117792

Structural Information

Molecular Formula
C13H14N4O4
SMILES
CN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=CO3)C)CO
InChI
InChI=1S/C13H14N4O4/c1-15-9(7-18)14-11-10(15)12(19)16(2)13(20)17(11)6-8-4-3-5-21-8/h3-5,18H,6-7H2,1-2H3
InChIKey
XEQINVKPXLRNDE-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-8-(hydroxymethyl)-1,7-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1015 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10878 164.2
[M+Na]+ 313.09072 178.4
[M+NH4]+ 308.13532 169.0
[M+K]+ 329.06466 177.9
[M-H]- 289.09422 165.3
[M+Na-2H]- 311.07617 168.1
[M]+ 290.10095 166.4
[M]- 290.10205 166.4
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

No patent data available for this compound.