CID 135434787

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

Structural Information

Molecular Formula
C10H12N4O5S
SMILES
C1[C@@H](O[C@@H](C1O)CO)N2C3=C(C(=O)NC(=N3)N)SC2=O
InChI
InChI=1S/C10H12N4O5S/c11-9-12-7-6(8(17)13-9)20-10(18)14(7)5-1-3(16)4(2-15)19-5/h3-5,15-16H,1-2H2,(H3,11,12,13,17)/t3?,4-,5-/m1/s1
InChIKey
BUPFRCZRKDMLQR-YZNZAMEGSA-N
Compound name
5-amino-3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-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

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06011 162.3
[M+Na]+ 323.04205 174.2
[M-H]- 299.04555 164.9
[M+NH4]+ 318.08665 175.7
[M+K]+ 339.01599 170.0
[M+H-H2O]+ 283.05009 157.1
[M+HCOO]- 345.05103 175.6
[M+CH3COO]- 359.06668 173.6
[M+Na-2H]- 321.02750 161.6
[M]+ 300.05228 165.0
[M]- 300.05338 165.0
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.