CID 6482222

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

Structural Information

Molecular Formula
C12H9N3S3
SMILES
CC1=NC(=S)C2=C(N1)N(C(=S)S2)C3=CC=CC=C3
InChI
InChI=1S/C12H9N3S3/c1-7-13-10-9(11(16)14-7)18-12(17)15(10)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,16)
InChIKey
QKEQBBKEECFJDN-UHFFFAOYSA-N
Compound name
5-methyl-3-phenyl-4H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.99585 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.00313 156.6
[M+Na]+ 313.98507 172.0
[M-H]- 289.98857 160.1
[M+NH4]+ 309.02967 172.4
[M+K]+ 329.95901 161.6
[M+H-H2O]+ 273.99311 151.7
[M+HCOO]- 335.99405 163.0
[M+CH3COO]- 350.00970 168.4
[M+Na-2H]- 311.97052 157.5
[M]+ 290.99530 159.1
[M]- 290.99640 159.1
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.