CID 217408
Nu-849
Structural Information
- Molecular Formula
- C19H21NO2
- SMILES
- CN1CCC(CC1)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
- InChI
- InChI=1S/C19H21NO2/c1-20-14-12-19(13-15-20,17-10-6-3-7-11-17)22-18(21)16-8-4-2-5-9-16/h2-11H,12-15H2,1H3
- InChIKey
- LUZBNAYUEOTTJP-UHFFFAOYSA-N
- Compound name
- (1-methyl-4-phenylpiperidin-4-yl) benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 296.16451 | 171.7 |
[M+Na]+ | 318.14645 | 176.2 |
[M-H]- | 294.14995 | 178.9 |
[M+NH4]+ | 313.19105 | 186.5 |
[M+K]+ | 334.12039 | 172.2 |
[M+H-H2O]+ | 278.15449 | 161.7 |
[M+HCOO]- | 340.15543 | 189.7 |
[M+CH3COO]- | 354.17108 | 181.7 |
[M+Na-2H]- | 316.13190 | 175.4 |
[M]+ | 295.15668 | 168.0 |
[M]- | 295.15778 | 168.0 |
Literature stripe
Patent stripe
No patent data available for this compound.