CID 6446457
Brn 0320957
Structural Information
- Molecular Formula
- C25H31NO2
- SMILES
- CCC(=O)OC1(CC(N(CC1C)C/C=C/C2=CC=CC=C2)C)C3=CC=CC=C3
- InChI
- InChI=1S/C25H31NO2/c1-4-24(27)28-25(23-15-9-6-10-16-23)18-21(3)26(19-20(25)2)17-11-14-22-12-7-5-8-13-22/h5-16,20-21H,4,17-19H2,1-3H3/b14-11+
- InChIKey
- QXMSCSUBPZKUGJ-SDNWHVSQSA-N
- Compound name
- [2,5-dimethyl-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl] propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 378.24275 | 196.3 |
[M+Na]+ | 400.22469 | 200.3 |
[M-H]- | 376.22819 | 203.2 |
[M+NH4]+ | 395.26929 | 208.3 |
[M+K]+ | 416.19863 | 194.6 |
[M+H-H2O]+ | 360.23273 | 185.7 |
[M+HCOO]- | 422.23367 | 212.4 |
[M+CH3COO]- | 436.24932 | 219.3 |
[M+Na-2H]- | 398.21014 | 195.6 |
[M]+ | 377.23492 | 194.7 |
[M]- | 377.23602 | 194.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.