CID 54676478
Roquinimex
Structural Information
- Molecular Formula
- C18H16N2O3
- SMILES
- CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O
- InChI
- InChI=1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3
- InChIKey
- SGOOQMRIPALTEL-UHFFFAOYSA-N
- Compound name
- 4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 309.12338 | 170.0 |
[M+Na]+ | 331.10532 | 178.6 |
[M-H]- | 307.10882 | 177.0 |
[M+NH4]+ | 326.14992 | 184.1 |
[M+K]+ | 347.07926 | 174.8 |
[M+H-H2O]+ | 291.11336 | 161.0 |
[M+HCOO]- | 353.11430 | 191.3 |
[M+CH3COO]- | 367.12995 | 209.9 |
[M+Na-2H]- | 329.09077 | 174.4 |
[M]+ | 308.11555 | 172.1 |
[M]- | 308.11665 | 172.1 |