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]+ 348.09788 178.9
[M+Na]+ 370.07982 189.8
[M-H]- 346.08332 186.5
[M+NH4]+ 365.12442 188.3
[M+K]+ 386.05376 184.9
[M+H-H2O]+ 330.08786 168.4
[M+HCOO]- 392.08880 198.2
[M+CH3COO]- 406.10445 190.0
[M+Na-2H]- 368.06527 183.6
[M]+ 347.09005 183.3
[M]- 347.09115 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.