CID 46212
Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-
Structural Information
- Molecular Formula
- C28H36N2
- SMILES
- C1CNC(C2=CC=CC=C21)CC34CCC(CC3)(CC4)CC5C6=CC=CC=C6CCN5
- InChI
- InChI=1S/C28H36N2/c1-3-7-23-21(5-1)9-17-29-25(23)19-27-11-14-28(15-12-27,16-13-27)20-26-24-8-4-2-6-22(24)10-18-30-26/h1-8,25-26,29-30H,9-20H2
- InChIKey
- DDOXROFFXDWGCO-UHFFFAOYSA-N
- Compound name
- 1-[[4-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1-bicyclo[2.2.2]octanyl]methyl]-1,2,3,4-tetrahydroisoquinoline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 401.29512 | 190.0 |
[M+Na]+ | 423.27706 | 188.6 |
[M-H]- | 399.28056 | 186.0 |
[M+NH4]+ | 418.32166 | 204.5 |
[M+K]+ | 439.25100 | 178.8 |
[M+H-H2O]+ | 383.28510 | 173.8 |
[M+HCOO]- | 445.28604 | 186.1 |
[M+CH3COO]- | 459.30169 | 192.0 |
[M+Na-2H]- | 421.26251 | 195.9 |
[M]+ | 400.28729 | 179.4 |
[M]- | 400.28839 | 179.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.