CID 54682
81023-06-5
Structural Information
- Molecular Formula
- C20H18N2O7
- SMILES
- COC1=C(C2=C(C=C1)C(OC2=O)N3C4=CC(=C(C=C4C(=O)C=N3)OC)OC)OC
- InChI
- InChI=1S/C20H18N2O7/c1-25-14-6-5-10-17(18(14)28-4)20(24)29-19(10)22-12-8-16(27-3)15(26-2)7-11(12)13(23)9-21-22/h5-9,19H,1-4H3
- InChIKey
- QDJGFYUBUMSXLS-UHFFFAOYSA-N
- Compound name
- 1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6,7-dimethoxycinnolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 399.11868 | 190.5 |
[M+Na]+ | 421.10062 | 202.2 |
[M-H]- | 397.10412 | 198.7 |
[M+NH4]+ | 416.14522 | 201.8 |
[M+K]+ | 437.07456 | 200.5 |
[M+H-H2O]+ | 381.10866 | 181.2 |
[M+HCOO]- | 443.10960 | 209.1 |
[M+CH3COO]- | 457.12525 | 224.8 |
[M+Na-2H]- | 419.08607 | 192.8 |
[M]+ | 398.11085 | 201.6 |
[M]- | 398.11195 | 201.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.