CID 6918388
Sarizotan
Structural Information
- Molecular Formula
- C22H21FN2O
- SMILES
- C1CC2=CC=CC=C2O[C@H]1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)F
- InChI
- InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
- InChIKey
- HKFMQJUJWSFOLY-OAQYLSRUSA-N
- Compound name
- 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 349.17108 | 183.7 |
[M+Na]+ | 371.15302 | 189.5 |
[M-H]- | 347.15652 | 191.1 |
[M+NH4]+ | 366.19762 | 194.0 |
[M+K]+ | 387.12696 | 183.5 |
[M+H-H2O]+ | 331.16106 | 171.5 |
[M+HCOO]- | 393.16200 | 201.1 |
[M+CH3COO]- | 407.17765 | 192.7 |
[M+Na-2H]- | 369.13847 | 189.0 |
[M]+ | 348.16325 | 180.4 |
[M]- | 348.16435 | 180.4 |