CID 716890
326918-81-4
Structural Information
- Molecular Formula
- C18H16N2OS
- SMILES
- C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)C4=CC=CC=C4)N
- InChI
- InChI=1S/C18H16N2OS/c19-15-13-10-12-8-4-5-9-14(12)20-18(13)22-17(15)16(21)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,19H2
- InChIKey
- WPHKBAUMBCUANR-UHFFFAOYSA-N
- Compound name
- (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 309.10561 | 167.5 |
[M+Na]+ | 331.08755 | 181.7 |
[M+NH4]+ | 326.13215 | 177.7 |
[M+K]+ | 347.06149 | 173.2 |
[M-H]- | 307.09105 | 173.4 |
[M+Na-2H]- | 329.07300 | 175.1 |
[M]+ | 308.09778 | 171.8 |
[M]- | 308.09888 | 171.8 |
Literature stripe
Patent stripe
No patent data available for this compound.