CID 48092
66827-51-8
Structural Information
- Molecular Formula
- C20H30BrNO2
- SMILES
- CCN(CC)CC(C)(C)COC(=O)C(CC(=C)Br)C1=CC=CC=C1
- InChI
- InChI=1S/C20H30BrNO2/c1-6-22(7-2)14-20(4,5)15-24-19(23)18(13-16(3)21)17-11-9-8-10-12-17/h8-12,18H,3,6-7,13-15H2,1-2,4-5H3
- InChIKey
- ULBPJZCMKCOMJF-UHFFFAOYSA-N
- Compound name
- [3-(diethylamino)-2,2-dimethylpropyl] 4-bromo-2-phenylpent-4-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 396.15328 | 193.5 |
[M+Na]+ | 418.13522 | 198.9 |
[M-H]- | 394.13872 | 199.2 |
[M+NH4]+ | 413.17982 | 208.5 |
[M+K]+ | 434.10916 | 188.0 |
[M+H-H2O]+ | 378.14326 | 191.2 |
[M+HCOO]- | 440.14420 | 209.7 |
[M+CH3COO]- | 454.15985 | 224.5 |
[M+Na-2H]- | 416.12067 | 193.4 |
[M]+ | 395.14545 | 215.0 |
[M]- | 395.14655 | 215.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.