CID 4205
Mirtazapine
Structural Information
- Molecular Formula
- C17H19N3
- SMILES
- CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
- InChI
- InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
- InChIKey
- RONZAEMNMFQXRA-UHFFFAOYSA-N
- Compound name
- 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 266.16518 | 163.1 |
[M+Na]+ | 288.14712 | 176.5 |
[M+NH4]+ | 283.19172 | 172.1 |
[M+K]+ | 304.12106 | 169.0 |
[M-H]- | 264.15062 | 166.3 |
[M+Na-2H]- | 286.13257 | 168.8 |
[M]+ | 265.15735 | 166.1 |
[M]- | 265.15845 | 166.1 |