CID 3048572
Nu-1304
Structural Information
- Molecular Formula
- C21H25NO2
- SMILES
- CCC(=O)OC1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
- InChI
- InChI=1S/C21H25NO2/c1-2-20(23)24-21(19-11-7-4-8-12-19)13-15-22(16-14-21)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
- InChIKey
- SQJNFNXAUDENKO-UHFFFAOYSA-N
- Compound name
- (1-benzyl-4-phenylpiperidin-4-yl) propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 324.19582 | 180.6 |
[M+Na]+ | 346.17776 | 184.1 |
[M-H]- | 322.18126 | 187.4 |
[M+NH4]+ | 341.22236 | 194.1 |
[M+K]+ | 362.15170 | 179.7 |
[M+H-H2O]+ | 306.18580 | 170.2 |
[M+HCOO]- | 368.18674 | 197.8 |
[M+CH3COO]- | 382.20239 | 206.6 |
[M+Na-2H]- | 344.16321 | 183.2 |
[M]+ | 323.18799 | 177.5 |
[M]- | 323.18909 | 177.5 |
Literature stripe
No literature data available for this compound.