CID 135508875

Rysmbraghsnnjs-uhfffaoysa-n

Structural Information

Molecular Formula
C9H12N4O5S
SMILES
C(C(CO)OCN1C2=C(C(=O)NC(=N2)N)SC1=O)O
InChI
InChI=1S/C9H12N4O5S/c10-8-11-6-5(7(16)12-8)19-9(17)13(6)3-18-4(1-14)2-15/h4,14-15H,1-3H2,(H3,10,11,12,16)
InChIKey
RYSMBRAGHSNNJS-UHFFFAOYSA-N
Compound name
5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

288.05283 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06011 157.7
[M+Na]+ 311.04205 168.3
[M-H]- 287.04555 155.5
[M+NH4]+ 306.08665 170.6
[M+K]+ 327.01599 163.6
[M+H-H2O]+ 271.05009 151.3
[M+HCOO]- 333.05103 171.5
[M+CH3COO]- 347.06668 193.0
[M+Na-2H]- 309.02750 159.5
[M]+ 288.05228 161.9
[M]- 288.05338 161.9
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

patents stripe