CID 13331
Dipipanone
Structural Information
- Molecular Formula
- C24H31NO
- SMILES
- CCC(=O)C(CC(C)N1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
- InChI
- InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3
- InChIKey
- SVDHSZFEQYXRDC-UHFFFAOYSA-N
- Compound name
- 4,4-diphenyl-6-piperidin-1-ylheptan-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 350.24785 | 188.5 |
[M+Na]+ | 372.22979 | 188.8 |
[M-H]- | 348.23329 | 194.2 |
[M+NH4]+ | 367.27439 | 198.5 |
[M+K]+ | 388.20373 | 183.8 |
[M+H-H2O]+ | 332.23783 | 178.0 |
[M+HCOO]- | 394.23877 | 201.8 |
[M+CH3COO]- | 408.25442 | 214.7 |
[M+Na-2H]- | 370.21524 | 189.0 |
[M]+ | 349.24002 | 183.3 |
[M]- | 349.24112 | 183.3 |