CID 383354

Nsc671468

Structural Information

Molecular Formula
C14H13N3O2S2
SMILES
CCN1C(=O)C2=C(N(C1=O)C3=CC=CC=C3)SC(=N2)SC
InChI
InChI=1S/C14H13N3O2S2/c1-3-16-11(18)10-12(21-13(15-10)20-2)17(14(16)19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKey
MGLIXODYKDEGEB-UHFFFAOYSA-N
Compound name
6-ethyl-2-methylsulfanyl-4-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.04492 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.05220 168.4
[M+Na]+ 342.03414 183.2
[M-H]- 318.03764 173.9
[M+NH4]+ 337.07874 183.7
[M+K]+ 358.00808 175.9
[M+H-H2O]+ 302.04218 161.6
[M+HCOO]- 364.04312 181.4
[M+CH3COO]- 378.05877 180.9
[M+Na-2H]- 340.01959 169.2
[M]+ 319.04437 176.7
[M]- 319.04547 176.7
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.