CID 214308
28060-43-7
Structural Information
- Molecular Formula
- C27H36N2O2
- SMILES
- CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
- InChI
- InChI=1S/C27H36N2O2/c1-22-19-27(24-15-9-5-10-16-24,31-25(30)23-13-7-4-8-14-23)26(2,20-28(22)3)21-29-17-11-6-12-18-29/h4-5,7-10,13-16,22H,6,11-12,17-21H2,1-3H3
- InChIKey
- QEILLUCIPRAYHH-UHFFFAOYSA-N
- Compound name
- [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 421.28496 | 208.4 |
[M+Na]+ | 443.26690 | 210.3 |
[M-H]- | 419.27040 | 215.9 |
[M+NH4]+ | 438.31150 | 218.1 |
[M+K]+ | 459.24084 | 205.1 |
[M+H-H2O]+ | 403.27494 | 195.0 |
[M+HCOO]- | 465.27588 | 219.0 |
[M+CH3COO]- | 479.29153 | 214.3 |
[M+Na-2H]- | 441.25235 | 206.7 |
[M]+ | 420.27713 | 201.9 |
[M]- | 420.27823 | 201.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.