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

22
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 145.5
[M+Na]+ 252.02021 158.6
[M-H]- 228.02371 149.5
[M+NH4]+ 247.06481 162.7
[M+K]+ 267.99415 152.3
[M+H-H2O]+ 212.02825 138.2
[M+HCOO]- 274.02919 163.2
[M+CH3COO]- 288.04484 158.9
[M+Na-2H]- 250.00566 151.4
[M]+ 229.03044 148.3
[M]- 229.03154 148.3
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