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[3,4-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]+ 348.09788 179.2
[M+Na]+ 370.07982 190.6
[M-H]- 346.08332 188.1
[M+NH4]+ 365.12442 189.3
[M+K]+ 386.05376 186.5
[M+H-H2O]+ 330.08786 168.4
[M+HCOO]- 392.08880 200.0
[M+CH3COO]- 406.10445 191.0
[M+Na-2H]- 368.06527 184.2
[M]+ 347.09005 185.2
[M]- 347.09115 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.