CID 235482

13364-95-9

Structural Information

Molecular Formula
C11H16N6O4
SMILES
CNC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
InChI
InChI=1S/C11H16N6O4/c1-13-11-15-8(12)5-9(16-11)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)
InChIKey
UZWXAPMSNDKDNK-UHFFFAOYSA-N
Compound name
2-[6-amino-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1233 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13058 166.0
[M+Na]+ 319.11252 174.7
[M+NH4]+ 314.15712 169.6
[M+K]+ 335.08646 177.1
[M-H]- 295.11602 166.6
[M+Na-2H]- 317.09797 166.7
[M]+ 296.12275 166.7
[M]- 296.12385 166.7
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.