CID 452175

125073-30-5

Structural Information

Molecular Formula
C10H15N7O3
SMILES
C1[C@@H]([C@@H]([C@@H]([C@@H]1N2C3=NC(=NC(=C3N=N2)N)N)O)O)CO
InChI
InChI=1S/C10H15N7O3/c11-8-5-9(14-10(12)13-8)17(16-15-5)4-1-3(2-18)6(19)7(4)20/h3-4,6-7,18-20H,1-2H2,(H4,11,12,13,14)/t3-,4-,6+,7-/m1/s1
InChIKey
XANFJHGCOJYBCQ-ZCBVHYEASA-N
Compound name
(1S,2R,3R,5R)-3-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

281.12363 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13091 162.2
[M+Na]+ 304.11285 172.5
[M-H]- 280.11635 161.3
[M+NH4]+ 299.15745 173.7
[M+K]+ 320.08679 167.6
[M+H-H2O]+ 264.12089 154.1
[M+HCOO]- 326.12183 178.2
[M+CH3COO]- 340.13748 172.0
[M+Na-2H]- 302.09830 162.7
[M]+ 281.12308 159.8
[M]- 281.12418 159.8
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.