CID 9971176
Nornalmefene
Structural Information
- Molecular Formula
- C17H19NO3
- SMILES
- C=C1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3)O
- InChI
- InChI=1S/C17H19NO3/c1-9-4-5-17(20)12-8-10-2-3-11(19)14-13(10)16(17,6-7-18-12)15(9)21-14/h2-3,12,15,18-20H,1,4-8H2/t12-,15+,16+,17-/m1/s1
- InChIKey
- QUXLQAACGCFFEX-ISWURRPUSA-N
- Compound name
- (4R,4aS,7aS,12bS)-7-methylidene-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 286.14378 | 165.9 |
[M+Na]+ | 308.12572 | 176.4 |
[M+NH4]+ | 303.17032 | 177.9 |
[M+K]+ | 324.09966 | 168.2 |
[M-H]- | 284.12922 | 168.0 |
[M+Na-2H]- | 306.11117 | 167.0 |
[M]+ | 285.13595 | 168.2 |
[M]- | 285.13705 | 168.2 |