CID 512130

3-.beta.-d-ribofuranosylpyrazolo[4,3-d]pyrimidine-7-thione

Structural Information

Molecular Formula
C10H10N4O4S
SMILES
C1=NC(=S)C2=NN=C(C2=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H10N4O4S/c15-1-3-7(16)8(17)9(18-3)5-4-6(14-13-5)10(19)12-2-11-4/h2-3,7-9,15-17H,1H2/t3-,7-,8-,9+/m1/s1
InChIKey
FIJDRCWXNHWVMA-KSYZLYKTSA-N
Compound name
3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[4,3-d]pyrimidine-7-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.04227 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04955 160.7
[M+Na]+ 305.03149 171.9
[M-H]- 281.03499 161.7
[M+NH4]+ 300.07609 173.8
[M+K]+ 321.00543 168.3
[M+H-H2O]+ 265.03953 155.0
[M+HCOO]- 327.04047 170.7
[M+CH3COO]- 341.05612 171.5
[M+Na-2H]- 303.01694 159.1
[M]+ 282.04172 163.0
[M]- 282.04282 163.0
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.