CID 135434786

5-amino-3-(3,4-dihydroxy-5-methyl-tetrahydro-furan-2-yl)-3h,6h-thiazolo[4,5-d]pyrimidine-2,7-dione

Structural Information

Molecular Formula
C10H12N4O5S
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)SC2=O)O)O
InChI
InChI=1S/C10H12N4O5S/c1-2-3(15)4(16)8(19-2)14-6-5(20-10(14)18)7(17)13-9(11)12-6/h2-4,8,15-16H,1H3,(H3,11,12,13,17)/t2-,3-,4-,8-/m1/s1
InChIKey
PBBHKTCJSYPUQF-FCLHUMLKSA-N
Compound name
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.05283 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06011 163.5
[M+Na]+ 323.04205 176.1
[M-H]- 299.04555 166.4
[M+NH4]+ 318.08665 177.0
[M+K]+ 339.01599 171.9
[M+H-H2O]+ 283.05009 158.5
[M+HCOO]- 345.05103 176.6
[M+CH3COO]- 359.06668 175.0
[M+Na-2H]- 321.02750 162.0
[M]+ 300.05228 166.5
[M]- 300.05338 166.5
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

No patent data available for this compound.