CID 59654
9-benzyl-3-p-tolyl-3-granatanol
Structural Information
- Molecular Formula
- C22H27NO
- SMILES
- CC1=CC=C(C=C1)OC2CC3CCCC(C2)N3CC4=CC=CC=C4
- InChI
- InChI=1S/C22H27NO/c1-17-10-12-21(13-11-17)24-22-14-19-8-5-9-20(15-22)23(19)16-18-6-3-2-4-7-18/h2-4,6-7,10-13,19-20,22H,5,8-9,14-16H2,1H3
- InChIKey
- MNXQDSVXDDQGHM-UHFFFAOYSA-N
- Compound name
- 9-benzyl-3-(4-methylphenoxy)-9-azabicyclo[3.3.1]nonane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 322.21654 | 179.5 |
[M+Na]+ | 344.19848 | 182.9 |
[M-H]- | 320.20198 | 185.3 |
[M+NH4]+ | 339.24308 | 193.0 |
[M+K]+ | 360.17242 | 177.1 |
[M+H-H2O]+ | 304.20652 | 168.7 |
[M+HCOO]- | 366.20746 | 193.4 |
[M+CH3COO]- | 380.22311 | 187.9 |
[M+Na-2H]- | 342.18393 | 182.2 |
[M]+ | 321.20871 | 174.7 |
[M]- | 321.20981 | 174.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.