CID 54692332
Schembl4743344
Structural Information
- Molecular Formula
- C18H17ClFN3O3
- SMILES
- CN1CCC2=C(C1=O)C(=C3N2CCN(C3=O)CC4=CC(=C(C=C4)F)Cl)O
- InChI
- InChI=1S/C18H17ClFN3O3/c1-21-5-4-13-14(17(21)25)16(24)15-18(26)22(6-7-23(13)15)9-10-2-3-12(20)11(19)8-10/h2-3,8,24H,4-7,9H2,1H3
- InChIKey
- XUAUZUDTPBLDPO-UHFFFAOYSA-N
- Compound name
- 11-[(3-chloro-4-fluorophenyl)methyl]-8-hydroxy-5-methyl-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]+ | 378.10152 | 189.2 |
[M+Na]+ | 400.08346 | 200.1 |
[M-H]- | 376.08696 | 191.3 |
[M+NH4]+ | 395.12806 | 201.6 |
[M+K]+ | 416.05740 | 192.4 |
[M+H-H2O]+ | 360.09150 | 179.6 |
[M+HCOO]- | 422.09244 | 196.0 |
[M+CH3COO]- | 436.10809 | 198.0 |
[M+Na-2H]- | 398.06891 | 186.6 |
[M]+ | 377.09369 | 189.0 |
[M]- | 377.09479 | 189.0 |
Literature stripe
No literature data available for this compound.