CID 135935333

3-phenyl-6h,7h-[1,2]thiazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C11H7N3OS
SMILES
C1=CC=C(C=C1)C2=NSC3=C2N=CNC3=O
InChI
InChI=1S/C11H7N3OS/c15-11-10-9(12-6-13-11)8(14-16-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,15)
InChIKey
PYERYCKBJGGKEV-UHFFFAOYSA-N
Compound name
3-phenyl-6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

229.03099 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03827 145.7
[M+Na]+ 252.02021 161.8
[M+NH4]+ 247.06481 154.5
[M+K]+ 267.99415 154.1
[M-H]- 228.02371 148.9
[M+Na-2H]- 250.00566 154.7
[M]+ 229.03044 149.5
[M]- 229.03154 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

patents stripe