CID 6482223

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

Structural Information

Molecular Formula
C13H11N3S3
SMILES
CC1=NC2=C(C(=N1)SC)SC(=S)N2C3=CC=CC=C3
InChI
InChI=1S/C13H11N3S3/c1-8-14-11-10(12(15-8)18-2)19-13(17)16(11)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey
RRTSJGRIPSAHMT-UHFFFAOYSA-N
Compound name
5-methyl-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

305.0115 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01878 160.5
[M+Na]+ 328.00072 175.6
[M-H]- 304.00422 165.2
[M+NH4]+ 323.04532 176.5
[M+K]+ 343.97466 166.6
[M+H-H2O]+ 288.00876 155.0
[M+HCOO]- 350.00970 167.9
[M+CH3COO]- 364.02535 172.6
[M+Na-2H]- 325.98617 161.2
[M]+ 305.01095 165.6
[M]- 305.01205 165.6
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.