CID 512139

Schembl5071989

Structural Information

Molecular Formula
C10H10N4O5
SMILES
C1=NC(=O)C2=NN=C(C2=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H10N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2/t3-,7-,8-,9+/m1/s1
InChIKey
GBQYHSLLQWEICU-KSYZLYKTSA-N
Compound name
3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

266.06512 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07240 156.3
[M+Na]+ 289.05434 166.5
[M-H]- 265.05784 157.0
[M+NH4]+ 284.09894 168.9
[M+K]+ 305.02828 164.0
[M+H-H2O]+ 249.06238 149.0
[M+HCOO]- 311.06332 170.8
[M+CH3COO]- 325.07897 167.3
[M+Na-2H]- 287.03979 157.4
[M]+ 266.06457 157.2
[M]- 266.06567 157.2
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