CID 54692382
Schembl4754316
Structural Information
- Molecular Formula
- C21H23ClFN3O3
- SMILES
- CCN1C(=O)C2=C(C3=C(N2CC1(C)C)CCN(C3=O)CC4=CC(=C(C=C4)F)Cl)O
- InChI
- InChI=1S/C21H23ClFN3O3/c1-4-26-20(29)17-18(27)16-15(25(17)11-21(26,2)3)7-8-24(19(16)28)10-12-5-6-14(23)13(22)9-12/h5-6,9,27H,4,7-8,10-11H2,1-3H3
- InChIKey
- VKWYNSKIWHIDBB-UHFFFAOYSA-N
- Compound name
- 5-[(3-chloro-4-fluorophenyl)methyl]-11-ethyl-8-hydroxy-12,12-dimethyl-1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene-6,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 420.14848 | 200.8 |
[M+Na]+ | 442.13042 | 212.3 |
[M-H]- | 418.13392 | 203.1 |
[M+NH4]+ | 437.17502 | 213.9 |
[M+K]+ | 458.10436 | 204.3 |
[M+H-H2O]+ | 402.13846 | 191.4 |
[M+HCOO]- | 464.13940 | 206.6 |
[M+CH3COO]- | 478.15505 | 209.2 |
[M+Na-2H]- | 440.11587 | 197.5 |
[M]+ | 419.14065 | 202.3 |
[M]- | 419.14175 | 202.3 |
Literature stripe
No literature data available for this compound.