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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.