CID 3071663

Brn 4823503

Structural Information

Molecular Formula
C19H13N3O4
SMILES
CC(=O)OC1=CC=CC=C1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)O2
InChI
InChI=1S/C19H13N3O4/c1-12(23)25-16-10-6-5-9-14(16)18-21-17-15(19(24)26-18)11-20-22(17)13-7-3-2-4-8-13/h2-11H,1H3
InChIKey
WRXCCSTXCJRBRD-UHFFFAOYSA-N
Compound name
[2-(4-oxo-1-phenylpyrazolo[5,4-d][1,3]oxazin-6-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.097876 179.2
[M+Na]+ 370.079818 190.6
[M-H]- 346.083324 188.1
[M+NH4]+ 365.124423 189.3
[M+K]+ 386.053758 186.5
[M+H-H2O]+ 330.087860 168.4
[M+HCOO]- 392.088801 200.0
[M+CH3COO]- 406.104451 191.0
[M+Na-2H]- 368.065266 184.2
[M]+ 347.09005142 185.2
[M]- 347.09114858 185.2
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.