CID 3885730

6h,7h-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

Structural Information

Molecular Formula
C5H3N3S2
SMILES
C1=NC2=C(C(=S)N1)N=CS2
InChI
InChI=1S/C5H3N3S2/c9-4-3-5(7-1-6-4)10-2-8-3/h1-2H,(H,6,7,9)
InChIKey
LKMUGGHJDVQIQC-UHFFFAOYSA-N
Compound name
6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

168.97684 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.98412 125.6
[M+Na]+ 191.96606 139.7
[M-H]- 167.96956 126.4
[M+NH4]+ 187.01066 145.9
[M+K]+ 207.94000 134.1
[M+H-H2O]+ 151.97410 120.6
[M+HCOO]- 213.97504 138.1
[M+CH3COO]- 227.99069 139.7
[M+Na-2H]- 189.95151 130.2
[M]+ 168.97629 128.1
[M]- 168.97739 128.1
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

patents stripe