CID 135746683

2-methylthio-6-hydroxy-8-thiapurine

Structural Information

Molecular Formula
C5H4N4OS2
SMILES
CSC1=NC2=NSN=C2C(=O)N1
InChI
InChI=1S/C5H4N4OS2/c1-11-5-6-3-2(4(10)7-5)8-12-9-3/h1H3,(H,6,7,9,10)
InChIKey
PQYLAQPTPAGWLC-UHFFFAOYSA-N
Compound name
5-methylsulfanyl-6H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.98265 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.98993 137.6
[M+Na]+ 222.97187 150.9
[M+NH4]+ 218.01647 145.5
[M+K]+ 238.94581 143.2
[M-H]- 198.97537 137.6
[M+Na-2H]- 220.95732 142.0
[M]+ 199.98210 140.3
[M]- 199.98320 140.3
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.