CID 490027

Thiazolo[4,5-d]pyrimidin-7(6h)-one, 6-ethyl-2,3-dihydro-3-methyl-2-thioxo-

Structural Information

Molecular Formula
C8H9N3OS2
SMILES
CCN1C=NC2=C(C1=O)SC(=S)N2C
InChI
InChI=1S/C8H9N3OS2/c1-3-11-4-9-6-5(7(11)12)14-8(13)10(6)2/h4H,3H2,1-2H3
InChIKey
ULRHPJPTZWSYJU-UHFFFAOYSA-N
Compound name
6-ethyl-3-methyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.0187 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02598 142.5
[M+Na]+ 250.00792 157.8
[M-H]- 226.01142 145.1
[M+NH4]+ 245.05252 161.8
[M+K]+ 265.98186 152.1
[M+H-H2O]+ 210.01596 137.2
[M+HCOO]- 272.01690 155.6
[M+CH3COO]- 286.03255 156.6
[M+Na-2H]- 247.99337 144.0
[M]+ 227.01815 149.5
[M]- 227.01925 149.5
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.