CID 135415644

1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-methyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidine-4-thione

Structural Information

Molecular Formula
C11H14N4O4S
SMILES
CC1=NC(=S)C2=C(N1)N(N=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O4S/c1-4-13-9-5(10(20)14-4)2-12-15(9)11-8(18)7(17)6(3-16)19-11/h2,6-8,11,16-18H,3H2,1H3,(H,13,14,20)/t6-,7-,8-,11-/m1/s1
InChIKey
HVMCGQJTVDFXOS-KCGFPETGSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-7H-pyrazolo[3,4-d]pyrimidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.07358 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08086 165.7
[M+Na]+ 321.06280 177.8
[M-H]- 297.06630 166.1
[M+NH4]+ 316.10740 178.0
[M+K]+ 337.03674 172.9
[M+H-H2O]+ 281.07084 160.4
[M+HCOO]- 343.07178 175.2
[M+CH3COO]- 357.08743 176.2
[M+Na-2H]- 319.04825 163.5
[M]+ 298.07303 168.4
[M]- 298.07413 168.4
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.