CID 5275300
Chembl197533
Structural Information
- Molecular Formula
- C24H24FN3O4
- SMILES
- C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)CNC(=O)C4=CC=C(O4)[N+](=O)[O-])F
- InChI
- InChI=1S/C24H24FN3O4/c25-20-15-19(16-26-24(29)22-8-9-23(32-22)28(30)31)6-7-21(20)27-12-10-18(11-13-27)14-17-4-2-1-3-5-17/h1-9,15,18H,10-14,16H2,(H,26,29)
- InChIKey
- LBIPOSZDSWPRRL-UHFFFAOYSA-N
- Compound name
- N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 438.18236 | 204.2 |
[M+Na]+ | 460.16430 | 205.7 |
[M-H]- | 436.16780 | 213.9 |
[M+NH4]+ | 455.20890 | 210.0 |
[M+K]+ | 476.13824 | 197.2 |
[M+H-H2O]+ | 420.17234 | 196.3 |
[M+HCOO]- | 482.17328 | 222.0 |
[M+CH3COO]- | 496.18893 | 224.8 |
[M+Na-2H]- | 458.14975 | 204.6 |
[M]+ | 437.17453 | 198.8 |
[M]- | 437.17563 | 198.8 |