CID 504286

7-methylsulfanyl-3-phenyl-thiazolo[4,5-d]pyrimidine-2-thione

Structural Information

Molecular Formula
C12H9N3S3
SMILES
CSC1=NC=NC2=C1SC(=S)N2C3=CC=CC=C3
InChI
InChI=1S/C12H9N3S3/c1-17-11-9-10(13-7-14-11)15(12(16)18-9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
YZUNPBKQGOGJJZ-UHFFFAOYSA-N
Compound name
7-methylsulfanyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.99585 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.00313 156.2
[M+Na]+ 313.98507 171.2
[M-H]- 289.98857 160.9
[M+NH4]+ 309.02967 172.6
[M+K]+ 329.95901 162.5
[M+H-H2O]+ 273.99311 150.8
[M+HCOO]- 335.99405 164.2
[M+CH3COO]- 350.00970 168.6
[M+Na-2H]- 311.97052 158.1
[M]+ 290.99530 160.8
[M]- 290.99640 160.8
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.