CID 15888
Butyrophenone, 4'-fluoro-4-(4-morpholino-4-propionylpiperidino)-, dihydrochloride
Structural Information
- Molecular Formula
- C22H31FN2O3
- SMILES
- CCC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)N3CCOCC3
- InChI
- InChI=1S/C22H31FN2O3/c1-2-21(27)22(25-14-16-28-17-15-25)9-12-24(13-10-22)11-3-4-20(26)18-5-7-19(23)8-6-18/h5-8H,2-4,9-17H2,1H3
- InChIKey
- PLCMLWPWSFBZEX-UHFFFAOYSA-N
- Compound name
- 1-(4-fluorophenyl)-4-(4-morpholin-4-yl-4-propanoylpiperidin-1-yl)butan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 391.23915 | 197.4 |
[M+Na]+ | 413.22109 | 198.3 |
[M-H]- | 389.22459 | 201.0 |
[M+NH4]+ | 408.26569 | 205.2 |
[M+K]+ | 429.19503 | 195.4 |
[M+H-H2O]+ | 373.22913 | 185.2 |
[M+HCOO]- | 435.23007 | 205.9 |
[M+CH3COO]- | 449.24572 | 220.2 |
[M+Na-2H]- | 411.20654 | 194.9 |
[M]+ | 390.23132 | 191.1 |
[M]- | 390.23242 | 191.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.