CID 135465857

3-benzoylisoxazolo(4,3-d)pyrimidin-7(6h)-one

Structural Information

Molecular Formula
C12H7N3O3
SMILES
C1=CC=C(C=C1)C(=O)C2=C3C(=NO2)C(=O)NC=N3
InChI
InChI=1S/C12H7N3O3/c16-10(7-4-2-1-3-5-7)11-8-9(15-18-11)12(17)14-6-13-8/h1-6H,(H,13,14,17)
InChIKey
GGUKHCKDINRSEO-UHFFFAOYSA-N
Compound name
3-benzoyl-6H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04874 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05602 148.9
[M+Na]+ 264.03796 164.3
[M+NH4]+ 259.08256 155.5
[M+K]+ 280.01190 160.7
[M-H]- 240.04146 151.7
[M+Na-2H]- 262.02341 156.6
[M]+ 241.04819 151.8
[M]- 241.04929 151.8
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.