CID 135441867

159897-63-9

Structural Information

Molecular Formula
C6H5N3OS2
SMILES
CN1C2=C(C(=O)NC=N2)SC1=S
InChI
InChI=1S/C6H5N3OS2/c1-9-4-3(12-6(9)11)5(10)8-2-7-4/h2H,1H3,(H,7,8,10)
InChIKey
CXKWJLMLQWBLAB-UHFFFAOYSA-N
Compound name
3-methyl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.98741 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.99469 134.2
[M+Na]+ 221.97663 149.3
[M-H]- 197.98013 135.4
[M+NH4]+ 217.02123 153.7
[M+K]+ 237.95057 143.1
[M+H-H2O]+ 181.98467 129.4
[M+HCOO]- 243.98561 146.6
[M+CH3COO]- 258.00126 148.2
[M+Na-2H]- 219.96208 137.0
[M]+ 198.98686 138.4
[M]- 198.98796 138.4
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.