CID 59745891
1021456-82-5
Structural Information
- Molecular Formula
- C19H22N2O2
- SMILES
- C1CC2=C3C(=CN(C(=O)C3=CC=C2)[C@@H]4C[N+]5(CCC4CC5)[O-])C1
- InChI
- InChI=1S/C19H22N2O2/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-20(19)17-12-21(23)9-7-13(17)8-10-21/h2,4,6,11,13,17H,1,3,5,7-10,12H2/t13?,17-,21?/m1/s1
- InChIKey
- UJTMVWDDYCEVNT-WAPLAKNRSA-N
- Compound name
- 2-[(3S)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 311.17540 | 162.8 |
[M+Na]+ | 333.15734 | 165.0 |
[M-H]- | 309.16084 | 159.0 |
[M+NH4]+ | 328.20194 | 180.8 |
[M+K]+ | 349.13128 | 154.7 |
[M+H-H2O]+ | 293.16538 | 155.1 |
[M+HCOO]- | 355.16632 | 165.6 |
[M+CH3COO]- | 369.18197 | 204.0 |
[M+Na-2H]- | 331.14279 | 174.5 |
[M]+ | 310.16757 | 158.6 |
[M]- | 310.16867 | 158.6 |
Literature stripe
No literature data available for this compound.