CID 135491490

3-cyclopropyl-5-methyl-2-thioxo-6h-thiazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C9H9N3OS2
SMILES
CC1=NC2=C(C(=O)N1)SC(=S)N2C3CC3
InChI
InChI=1S/C9H9N3OS2/c1-4-10-7-6(8(13)11-4)15-9(14)12(7)5-2-3-5/h5H,2-3H2,1H3,(H,10,11,13)
InChIKey
SRYPFSFZJRCRFH-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-methyl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0187 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.02598 147.9
[M+Na]+ 262.00792 163.5
[M-H]- 238.01142 152.2
[M+NH4]+ 257.05252 160.9
[M+K]+ 277.98186 155.2
[M+H-H2O]+ 222.01596 142.1
[M+HCOO]- 284.01690 159.9
[M+CH3COO]- 298.03255 160.4
[M+Na-2H]- 259.99337 148.7
[M]+ 239.01815 154.0
[M]- 239.01925 154.0
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.