CID 135465872

3-benzoyl-5-methylisoxazolo(4,3-d)pyrimidin-7(6h)-one

Structural Information

Molecular Formula
C13H9N3O3
SMILES
CC1=NC2=C(ON=C2C(=O)N1)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C13H9N3O3/c1-7-14-9-10(13(18)15-7)16-19-12(9)11(17)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15,18)
InChIKey
OVOLMYUVVXJNNZ-UHFFFAOYSA-N
Compound name
3-benzoyl-5-methyl-6H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06439 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.071666 153.8
[M+Na]+ 278.053608 165.7
[M-H]- 254.057114 158.3
[M+NH4]+ 273.098213 167.5
[M+K]+ 294.027548 161.7
[M+H-H2O]+ 238.061650 145.2
[M+HCOO]- 300.062591 173.9
[M+CH3COO]- 314.078241 166.6
[M+Na-2H]- 276.039056 160.2
[M]+ 255.06384142 157.2
[M]- 255.06493858 157.2
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.