CID 3060502
Brn 5636793
Structural Information
- Molecular Formula
- C20H30N2O5
- SMILES
- CCCCCCN1CCN(C(=O)C1=O)CC2=C(C(=C(C=C2)OC)OC)OC
- InChI
- InChI=1S/C20H30N2O5/c1-5-6-7-8-11-21-12-13-22(20(24)19(21)23)14-15-9-10-16(25-2)18(27-4)17(15)26-3/h9-10H,5-8,11-14H2,1-4H3
- InChIKey
- AMQLGAXQVACRLS-UHFFFAOYSA-N
- Compound name
- 1-hexyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-2,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 379.22276 | 191.8 |
[M+Na]+ | 401.20470 | 198.1 |
[M-H]- | 377.20820 | 195.1 |
[M+NH4]+ | 396.24930 | 201.4 |
[M+K]+ | 417.17864 | 195.1 |
[M+H-H2O]+ | 361.21274 | 181.8 |
[M+HCOO]- | 423.21368 | 208.3 |
[M+CH3COO]- | 437.22933 | 222.4 |
[M+Na-2H]- | 399.19015 | 189.8 |
[M]+ | 378.21493 | 197.8 |
[M]- | 378.21603 | 197.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.