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 138.9
[M+Na]+ 221.97663 152.5
[M+NH4]+ 217.02123 147.1
[M+K]+ 237.95057 144.3
[M-H]- 197.98013 139.4
[M+Na-2H]- 219.96208 143.0
[M]+ 198.98686 141.8
[M]- 198.98796 141.8
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.