CID 515968
Chembl358951
Structural Information
- Molecular Formula
- C18H16N2O5
- SMILES
- COC1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)C(=O)N)C(=O)C2=O)OC
- InChI
- InChI=1S/C18H16N2O5/c1-24-12-5-10(6-13(8-12)25-2)9-20-15-4-3-11(17(19)22)7-14(15)16(21)18(20)23/h3-8H,9H2,1-2H3,(H2,19,22)
- InChIKey
- XAKKOTVGIIAFND-UHFFFAOYSA-N
- Compound name
- 1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 341.11321 | 176.4 |
[M+Na]+ | 363.09515 | 185.7 |
[M-H]- | 339.09865 | 183.3 |
[M+NH4]+ | 358.13975 | 191.1 |
[M+K]+ | 379.06909 | 182.3 |
[M+H-H2O]+ | 323.10319 | 168.5 |
[M+HCOO]- | 385.10413 | 198.0 |
[M+CH3COO]- | 399.11978 | 215.5 |
[M+Na-2H]- | 361.08060 | 176.4 |
[M]+ | 340.10538 | 180.6 |
[M]- | 340.10648 | 180.6 |
Literature stripe
Patent stripe
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