CID 15954442

2-amino-6-chloro-8-azapurine ribofuranoside

Structural Information

Molecular Formula
C9H11ClN6O4
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(N=C(N=C3Cl)N)N=N2)O)O)O
InChI
InChI=1S/C9H11ClN6O4/c10-6-3-7(13-9(11)12-6)14-15-16(3)8-5(19)4(18)2(1-17)20-8/h2,4-5,8,17-19H,1H2,(H2,11,12,13)/t2-,4-,5-,8-/m1/s1
InChIKey
KJSNWTPKQIFWDV-UMMCILCDSA-N
Compound name
(2R,3R,4S,5R)-2-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.05304 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06032 164.6
[M+Na]+ 325.04226 176.6
[M-H]- 301.04576 164.4
[M+NH4]+ 320.08686 175.2
[M+K]+ 341.01620 172.2
[M+H-H2O]+ 285.05030 156.9
[M+HCOO]- 347.05124 174.8
[M+CH3COO]- 361.06689 174.8
[M+Na-2H]- 323.02771 165.2
[M]+ 302.05249 166.9
[M]- 302.05359 166.9
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.