CID 9904604
Schembl5178467
Structural Information
- Molecular Formula
- C17H24FN3O
- SMILES
- C1CC(=O)N(C1)CCCN2CCN(CC2)C3=CC=C(C=C3)F
- InChI
- InChI=1S/C17H24FN3O/c18-15-4-6-16(7-5-15)20-13-11-19(12-14-20)8-2-10-21-9-1-3-17(21)22/h4-7H,1-3,8-14H2
- InChIKey
- IXBOMVODGPKDJS-UHFFFAOYSA-N
- Compound name
- 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 306.19762 | 174.9 |
[M+Na]+ | 328.17956 | 179.2 |
[M-H]- | 304.18306 | 177.7 |
[M+NH4]+ | 323.22416 | 186.8 |
[M+K]+ | 344.15350 | 174.0 |
[M+H-H2O]+ | 288.18760 | 162.9 |
[M+HCOO]- | 350.18854 | 188.4 |
[M+CH3COO]- | 364.20419 | 203.9 |
[M+Na-2H]- | 326.16501 | 172.7 |
[M]+ | 305.18979 | 168.3 |
[M]- | 305.19089 | 168.3 |