CID 135412840

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

Structural Information

Molecular Formula
C18H11N3O3
SMILES
C1=CC=C(C=C1)C2=NC3=C(ON=C3C(=O)N2)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C18H11N3O3/c22-15(11-7-3-1-4-8-11)16-13-14(21-24-16)18(23)20-17(19-13)12-9-5-2-6-10-12/h1-10H,(H,19,20,23)
InChIKey
GYHQRERXCDNNID-UHFFFAOYSA-N
Compound name
3-benzoyl-5-phenyl-6H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.08733 171.0
[M+Na]+ 340.06927 181.8
[M-H]- 316.07277 178.3
[M+NH4]+ 335.11387 181.4
[M+K]+ 356.04321 176.2
[M+H-H2O]+ 300.07731 160.7
[M+HCOO]- 362.07825 190.5
[M+CH3COO]- 376.09390 182.4
[M+Na-2H]- 338.05472 176.9
[M]+ 317.07950 173.3
[M]- 317.08060 173.3
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

No patent data available for this compound.