CID 13196296
1-(2-benzoylpropyl)-4-(2-(4-fluorophenyl)-2-piperidinoethyl)piperazine dimaleate monohydrate
Structural Information
- Molecular Formula
- C27H36FN3O
- SMILES
- CC(CN1CCN(CC1)CC(C2=CC=C(C=C2)F)N3CCCCC3)C(=O)C4=CC=CC=C4
- InChI
- InChI=1S/C27H36FN3O/c1-22(27(32)24-8-4-2-5-9-24)20-29-16-18-30(19-17-29)21-26(31-14-6-3-7-15-31)23-10-12-25(28)13-11-23/h2,4-5,8-13,22,26H,3,6-7,14-21H2,1H3
- InChIKey
- PVQIWHVMJZTSPZ-UHFFFAOYSA-N
- Compound name
- 3-[4-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 438.29152 | 210.6 |
[M+Na]+ | 460.27346 | 208.6 |
[M-H]- | 436.27696 | 214.0 |
[M+NH4]+ | 455.31806 | 213.3 |
[M+K]+ | 476.24740 | 201.9 |
[M+H-H2O]+ | 420.28150 | 195.3 |
[M+HCOO]- | 482.28244 | 216.2 |
[M+CH3COO]- | 496.29809 | 213.6 |
[M+Na-2H]- | 458.25891 | 205.0 |
[M]+ | 437.28369 | 199.9 |
[M]- | 437.28479 | 199.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.