CID 93003

6-chloropurine riboside

Structural Information

Molecular Formula
C10H11ClN4O4
SMILES
C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H11ClN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2/t4-,6-,7-,10-/m1/s1
InChIKey
XHRJGHCQQPETRH-KQYNXXCUSA-N
Compound name
(2R,3R,4S,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

2292
Patents

286.04688 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05416 159.3
[M+Na]+ 309.03610 171.6
[M+NH4]+ 304.08070 164.6
[M+K]+ 325.01004 171.9
[M-H]- 285.03960 159.6
[M+Na-2H]- 307.02155 161.7
[M]+ 286.04633 161.1
[M]- 286.04743 161.1
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

patents stripe