CID 6482226

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

Structural Information

Molecular Formula
C12H8N6S2
SMILES
CC1=NC(=C2C(=N1)N(C(=S)S2)C3=CC=CC=C3)N=[N+]=[N-]
InChI
InChI=1S/C12H8N6S2/c1-7-14-10(16-17-13)9-11(15-7)18(12(19)20-9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
IFRBIGZCLDCKHQ-UHFFFAOYSA-N
Compound name
7-azido-5-methyl-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

300.02518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03246 160.2
[M+Na]+ 323.01440 172.8
[M-H]- 299.01790 167.9
[M+NH4]+ 318.05900 175.6
[M+K]+ 338.98834 160.6
[M+H-H2O]+ 283.02244 156.1
[M+HCOO]- 345.02338 179.3
[M+CH3COO]- 359.03903 203.3
[M+Na-2H]- 320.99985 167.9
[M]+ 300.02463 161.8
[M]- 300.02573 161.8
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.