CID 3044280
Rmi 61218
Structural Information
- Molecular Formula
- C21H20N2O3
- SMILES
- COC(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
- InChI
- InChI=1S/C21H20N2O3/c1-26-21(25)23-12-10-22(11-13-23)19-14-15-6-2-3-7-16(15)20(24)18-9-5-4-8-17(18)19/h2-9,14H,10-13H2,1H3
- InChIKey
- LKWVTOQCFSRPTM-UHFFFAOYSA-N
- Compound name
- methyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 349.15468 | 182.4 |
[M+Na]+ | 371.13662 | 189.6 |
[M-H]- | 347.14012 | 189.2 |
[M+NH4]+ | 366.18122 | 194.0 |
[M+K]+ | 387.11056 | 188.6 |
[M+H-H2O]+ | 331.14466 | 173.4 |
[M+HCOO]- | 393.14560 | 197.9 |
[M+CH3COO]- | 407.16125 | 191.8 |
[M+Na-2H]- | 369.12207 | 186.4 |
[M]+ | 348.14685 | 180.0 |
[M]- | 348.14795 | 180.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.