CID 24764039

848691-22-5

Structural Information

Molecular Formula
C5H4N4OS
SMILES
C1=C2C(=NC(=N1)N)NC(=O)S2
InChI
InChI=1S/C5H4N4OS/c6-4-7-1-2-3(8-4)9-5(10)11-2/h1H,(H3,6,7,8,9,10)
InChIKey
CGLJYFPRPQWKTN-UHFFFAOYSA-N
Compound name
5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

168.01057 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01785 129.1
[M+Na]+ 190.99979 141.7
[M+NH4]+ 186.04439 136.9
[M+K]+ 206.97373 136.5
[M-H]- 167.00329 129.6
[M+Na-2H]- 188.98524 134.5
[M]+ 168.01002 131.2
[M]- 168.01112 131.2
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