CID 3077018
5-furfuryl-1-methyl-1h,5h-imidazo(4,5-c)quinolin-4-one
Structural Information
- Molecular Formula
- C16H13N3O2
- SMILES
- CN1C=NC2=C1C3=CC=CC=C3N(C2=O)CC4=CC=CO4
- InChI
- InChI=1S/C16H13N3O2/c1-18-10-17-14-15(18)12-6-2-3-7-13(12)19(16(14)20)9-11-5-4-8-21-11/h2-8,10H,9H2,1H3
- InChIKey
- ICJDHPWFXVPZJI-UHFFFAOYSA-N
- Compound name
- 5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 280.10805 | 161.3 |
[M+Na]+ | 302.08999 | 175.6 |
[M-H]- | 278.09349 | 168.9 |
[M+NH4]+ | 297.13459 | 178.2 |
[M+K]+ | 318.06393 | 171.0 |
[M+H-H2O]+ | 262.09803 | 153.2 |
[M+HCOO]- | 324.09897 | 184.6 |
[M+CH3COO]- | 338.11462 | 175.4 |
[M+Na-2H]- | 300.07544 | 167.3 |
[M]+ | 279.10022 | 168.9 |
[M]- | 279.10132 | 168.9 |