CID 235482

9h-purine, 6-amino-2-(methylamino)-9-beta-d-ribofuranosyl-

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 165.4
[M+Na]+ 319.11252 175.1
[M-H]- 295.11602 166.5
[M+NH4]+ 314.15712 176.5
[M+K]+ 335.08646 171.8
[M+H-H2O]+ 279.12056 157.6
[M+HCOO]- 341.12150 182.1
[M+CH3COO]- 355.13715 175.5
[M+Na-2H]- 317.09797 166.8
[M]+ 296.12275 165.6
[M]- 296.12385 165.6
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.