CID 54864
82394-04-5
Structural Information
- Molecular Formula
- C16H17NOS
- SMILES
- COC1=CC=CC2=C1SCC3=CC=CC=C3C2CN
- InChI
- InChI=1S/C16H17NOS/c1-18-15-8-4-7-13-14(9-17)12-6-3-2-5-11(12)10-19-16(13)15/h2-8,14H,9-10,17H2,1H3
- InChIKey
- KSHIPKURKFRBJA-UHFFFAOYSA-N
- Compound name
- (4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)methanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 272.11038 | 159.6 |
[M+Na]+ | 294.09232 | 166.0 |
[M-H]- | 270.09582 | 165.5 |
[M+NH4]+ | 289.13692 | 177.3 |
[M+K]+ | 310.06626 | 165.7 |
[M+H-H2O]+ | 254.10036 | 154.9 |
[M+HCOO]- | 316.10130 | 175.1 |
[M+CH3COO]- | 330.11695 | 170.7 |
[M+Na-2H]- | 292.07777 | 163.7 |
[M]+ | 271.10255 | 158.2 |
[M]- | 271.10365 | 158.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.