CID 135465565

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

Structural Information

Molecular Formula
C19H13N3O4
SMILES
COC1=CC=C(C=C1)C2=NC3=C(ON=C3C(=O)N2)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H13N3O4/c1-25-13-9-7-12(8-10-13)18-20-14-15(19(24)21-18)22-26-17(14)16(23)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21,24)
InChIKey
ZQUDVEBQYAOLGC-UHFFFAOYSA-N
Compound name
3-benzoyl-5-(4-methoxyphenyl)-6H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0906 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.097876 178.9
[M+Na]+ 370.079818 189.8
[M-H]- 346.083324 186.5
[M+NH4]+ 365.124423 188.3
[M+K]+ 386.053758 184.9
[M+H-H2O]+ 330.087860 168.4
[M+HCOO]- 392.088801 198.2
[M+CH3COO]- 406.104451 190.0
[M+Na-2H]- 368.065266 183.6
[M]+ 347.09005142 183.3
[M]- 347.09114858 183.3
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.