CID 5274367

9h-purine-2,6-diamine, 9-b-d-ribofuranosyl-, 1-oxide

Structural Information

Molecular Formula
C10H14N6O5
SMILES
C1=NC2=C(N(C(=N)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N
InChI
InChI=1S/C10H14N6O5/c11-7-4-8(14-10(12)16(7)20)15(2-13-4)9-6(19)5(18)3(1-17)21-9/h2-3,5-6,9,12,17-20H,1,11H2/t3-,5-,6-,9-/m1/s1
InChIKey
QTLOZXIXTYHCIY-UUOKFMHZSA-N
Compound name
(2R,3R,4S,5R)-2-(6-amino-1-hydroxy-2-iminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.10257 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10985 165.0
[M+Na]+ 321.09179 175.5
[M-H]- 297.09529 165.5
[M+NH4]+ 316.13639 175.4
[M+K]+ 337.06573 171.8
[M+H-H2O]+ 281.09983 157.8
[M+HCOO]- 343.10077 180.7
[M+CH3COO]- 357.11642 175.0
[M+Na-2H]- 319.07724 165.8
[M]+ 298.10202 164.3
[M]- 298.10312 164.3
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

No patent data available for this compound.