CID 135434788

5-amino-3-[(1r)-2-hydroxy-1-[2-hydroxy-1-(hydroxymethyl)ethoxy]ethyl]-6h-thiazolo[4,5-d]pyrimidine-2,7-dione

Structural Information

Molecular Formula
C10H14N4O6S
SMILES
C([C@H](N1C2=C(C(=O)NC(=N2)N)SC1=O)OC(CO)CO)O
InChI
InChI=1S/C10H14N4O6S/c11-9-12-7-6(8(18)13-9)21-10(19)14(7)5(3-17)20-4(1-15)2-16/h4-5,15-17H,1-3H2,(H3,11,12,13,18)/t5-/m1/s1
InChIKey
MMOCMMCXICJVHG-RXMQYKEDSA-N
Compound name
5-amino-3-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxyethyl]-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

318.06342 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07070 164.3
[M+Na]+ 341.05264 173.2
[M-H]- 317.05614 160.6
[M+NH4]+ 336.09724 175.0
[M+K]+ 357.02658 168.9
[M+H-H2O]+ 301.06068 158.0
[M+HCOO]- 363.06162 175.4
[M+CH3COO]- 377.07727 197.3
[M+Na-2H]- 339.03809 164.6
[M]+ 318.06287 167.9
[M]- 318.06397 167.9
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.