CID 692942
Brn 4815024
Structural Information
- Molecular Formula
- C17H11N3O2
- SMILES
- C1=CC=C(C=C1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)O2
- InChI
- InChI=1S/C17H11N3O2/c21-17-14-11-18-20(13-9-5-2-6-10-13)15(14)19-16(22-17)12-7-3-1-4-8-12/h1-11H
- InChIKey
- BCCJIDPZJCOJRY-UHFFFAOYSA-N
- Compound name
- 1,6-diphenylpyrazolo[3,4-d][1,3]oxazin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 290.09238 | 164.4 |
[M+Na]+ | 312.07432 | 176.4 |
[M-H]- | 288.07782 | 172.9 |
[M+NH4]+ | 307.11892 | 176.9 |
[M+K]+ | 328.04826 | 171.1 |
[M+H-H2O]+ | 272.08236 | 153.8 |
[M+HCOO]- | 334.08330 | 186.3 |
[M+CH3COO]- | 348.09895 | 177.1 |
[M+Na-2H]- | 310.05977 | 172.1 |
[M]+ | 289.08455 | 167.9 |
[M]- | 289.08565 | 167.9 |
Literature stripe
Patent stripe
No patent data available for this compound.