CID 500247

Nsc675866

Structural Information

Molecular Formula
C10H12N4O4S
SMILES
C1=NC2=C(C(=N1)N)SN=C2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H12N4O4S/c11-10-9-5(12-2-13-10)4(14-19-9)8-7(17)6(16)3(1-15)18-8/h2-3,6-8,15-17H,1H2,(H2,11,12,13)/t3-,6-,7-,8+/m1/s1
InChIKey
YGFGQYZYMXRMTP-DTKRFWQTSA-N
Compound name
(2S,3R,4S,5R)-2-(7-amino-[1,2]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.05792 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06520 158.4
[M+Na]+ 307.04714 169.3
[M-H]- 283.05064 160.6
[M+NH4]+ 302.09174 172.4
[M+K]+ 323.02108 165.8
[M+H-H2O]+ 267.05518 152.9
[M+HCOO]- 329.05612 171.3
[M+CH3COO]- 343.07177 169.7
[M+Na-2H]- 305.03259 158.3
[M]+ 284.05737 160.7
[M]- 284.05847 160.7
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.