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]+ 256.07167 153.8
[M+Na]+ 278.05361 165.7
[M-H]- 254.05711 158.3
[M+NH4]+ 273.09821 167.5
[M+K]+ 294.02755 161.7
[M+H-H2O]+ 238.06165 145.2
[M+HCOO]- 300.06259 173.9
[M+CH3COO]- 314.07824 166.6
[M+Na-2H]- 276.03906 160.2
[M]+ 255.06384 157.2
[M]- 255.06494 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.