CID 24846646

8h-(1,3,4)thiadiazolo(3,2-a)thieno(2,3-d)pyrimidin-8-one, 6,7-dimethyl-2-(methylthio)-

Structural Information

Molecular Formula
C10H9N3OS3
SMILES
CC1=C(SC2=C1C(=O)N3C(=N2)SC(=N3)SC)C
InChI
InChI=1S/C10H9N3OS3/c1-4-5(2)16-7-6(4)8(14)13-9(11-7)17-10(12-13)15-3/h1-3H3
InChIKey
XCFXEZDDJBRCHL-UHFFFAOYSA-N
Compound name
4,5-dimethyl-11-methylsulfanyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.99078 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.99806 155.7
[M+Na]+ 305.98000 173.6
[M-H]- 281.98350 159.7
[M+NH4]+ 301.02460 176.0
[M+K]+ 321.95394 167.0
[M+H-H2O]+ 265.98804 152.8
[M+HCOO]- 327.98898 164.9
[M+CH3COO]- 342.00463 169.6
[M+Na-2H]- 303.96545 156.2
[M]+ 282.99023 165.9
[M]- 282.99133 165.9
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.