CID 10246762
Sembragiline
Structural Information
- Molecular Formula
- C19H19FN2O3
- SMILES
- CC(=O)N[C@H]1CC(=O)N(C1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)F
- InChI
- InChI=1S/C19H19FN2O3/c1-13(23)21-16-10-19(24)22(11-16)17-5-7-18(8-6-17)25-12-14-3-2-4-15(20)9-14/h2-9,16H,10-12H2,1H3,(H,21,23)/t16-/m0/s1
- InChIKey
- VMAVCCUQTALHOB-INIZCTEOSA-N
- Compound name
- N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 343.14525 | 179.0 |
[M+Na]+ | 365.12719 | 185.4 |
[M-H]- | 341.13069 | 186.3 |
[M+NH4]+ | 360.17179 | 192.2 |
[M+K]+ | 381.10113 | 180.8 |
[M+H-H2O]+ | 325.13523 | 168.8 |
[M+HCOO]- | 387.13617 | 199.6 |
[M+CH3COO]- | 401.15182 | 213.2 |
[M+Na-2H]- | 363.11264 | 178.2 |
[M]+ | 342.13742 | 177.7 |
[M]- | 342.13852 | 177.7 |