CID 135407110

Allopurinol riboside

Structural Information

Molecular Formula
C10H12N4O5
SMILES
C1=NN(C2=C1C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-8-4(1-13-14)9(18)12-3-11-8/h1,3,5-7,10,15-17H,2H2,(H,11,12,18)/t5-,6-,7-,10-/m1/s1
InChIKey
KFQUAMTWOJHPEJ-DAGMQNCNSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

43
References

136
Patents

268.08078 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 156.3
[M+Na]+ 291.07000 167.0
[M-H]- 267.07350 156.1
[M+NH4]+ 286.11460 168.3
[M+K]+ 307.04394 163.4
[M+H-H2O]+ 251.07804 149.2
[M+HCOO]- 313.07898 170.6
[M+CH3COO]- 327.09463 167.1
[M+Na-2H]- 289.05545 157.8
[M]+ 268.08023 156.8
[M]- 268.08133 156.8
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