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

24
References

2314
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 159.5
[M+Na]+ 309.03610 171.2
[M-H]- 285.03960 160.3
[M+NH4]+ 304.08070 172.4
[M+K]+ 325.01004 167.1
[M+H-H2O]+ 269.04414 152.3
[M+HCOO]- 331.04508 170.3
[M+CH3COO]- 345.06073 170.6
[M+Na-2H]- 307.02155 160.9
[M]+ 286.04633 162.8
[M]- 286.04743 162.8
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

patents stripe