CID 44794
7-dimethylamino-4,4-diphenyl-3-heptanone hydrochloride
Structural Information
- Molecular Formula
- C21H27NO
- SMILES
- CCC(=O)C(CCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
- InChI
- InChI=1S/C21H27NO/c1-4-20(23)21(16-11-17-22(2)3,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15H,4,11,16-17H2,1-3H3
- InChIKey
- WDAZWNUACIUHAO-UHFFFAOYSA-N
- Compound name
- 7-(dimethylamino)-4,4-diphenylheptan-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 310.21654 | 178.2 |
[M+Na]+ | 332.19848 | 181.4 |
[M-H]- | 308.20198 | 184.9 |
[M+NH4]+ | 327.24308 | 192.6 |
[M+K]+ | 348.17242 | 178.0 |
[M+H-H2O]+ | 292.20652 | 169.4 |
[M+HCOO]- | 354.20746 | 199.5 |
[M+CH3COO]- | 368.22311 | 213.7 |
[M+Na-2H]- | 330.18393 | 181.5 |
[M]+ | 309.20871 | 179.8 |
[M]- | 309.20981 | 179.8 |