CID 11631316
Chembl383761
Structural Information
- Molecular Formula
- C20H13NO4
- SMILES
- C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C=C(C=C4)C(=O)O)C(=O)C3=O
- InChI
- InChI=1S/C20H13NO4/c22-18-16-10-15(20(24)25)7-8-17(16)21(19(18)23)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H,24,25)
- InChIKey
- CDQXORKPLJMKQR-UHFFFAOYSA-N
- Compound name
- 1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 332.09175 | 175.2 |
[M+Na]+ | 354.07369 | 184.6 |
[M-H]- | 330.07719 | 181.8 |
[M+NH4]+ | 349.11829 | 190.6 |
[M+K]+ | 370.04763 | 178.8 |
[M+H-H2O]+ | 314.08173 | 167.2 |
[M+HCOO]- | 376.08267 | 193.6 |
[M+CH3COO]- | 390.09832 | 186.4 |
[M+Na-2H]- | 352.05914 | 177.3 |
[M]+ | 331.08392 | 176.7 |
[M]- | 331.08502 | 176.7 |
Literature stripe
Patent stripe
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