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

31
Patents

229.03099 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.038266 145.5
[M+Na]+ 252.020208 158.6
[M-H]- 228.023714 149.5
[M+NH4]+ 247.064813 162.7
[M+K]+ 267.994148 152.3
[M+H-H2O]+ 212.028250 138.2
[M+HCOO]- 274.029191 163.2
[M+CH3COO]- 288.044841 158.9
[M+Na-2H]- 250.005656 151.4
[M]+ 229.03044142 148.3
[M]- 229.03153858 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