CID 512137

Chembl3144011

Structural Information

Molecular Formula
C11H13N5O5
SMILES
C1=NC2=C(NN=C2C(=N1)C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H13N5O5/c12-11(20)7-5-4(13-2-14-7)6(16-15-5)10-9(19)8(18)3(1-17)21-10/h2-3,8-10,17-19H,1H2,(H2,12,20)(H,15,16)/t3-,8-,9-,10+/m1/s1
InChIKey
OULZSUJQLWBVRM-BBCRIIJHSA-N
Compound name
3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.09167 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09895 163.7
[M+Na]+ 318.08089 172.6
[M-H]- 294.08439 163.2
[M+NH4]+ 313.12549 173.8
[M+K]+ 334.05483 169.3
[M+H-H2O]+ 278.08893 156.3
[M+HCOO]- 340.08987 177.2
[M+CH3COO]- 354.10552 173.2
[M+Na-2H]- 316.06634 163.7
[M]+ 295.09112 162.5
[M]- 295.09222 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.