CID 101702
Funtumine
Structural Information
- Molecular Formula
- C21H35NO
- SMILES
- CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N)C)C
- InChI
- InChI=1S/C21H35NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12,22H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
- InChIKey
- POWBIOMTXFDIOP-SYBPFIFISA-N
- Compound name
- 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 318.27913 | 181.6 |
[M+Na]+ | 340.26107 | 184.6 |
[M-H]- | 316.26457 | 184.6 |
[M+NH4]+ | 335.30567 | 204.0 |
[M+K]+ | 356.23501 | 178.9 |
[M+H-H2O]+ | 300.26911 | 175.2 |
[M+HCOO]- | 362.27005 | 189.7 |
[M+CH3COO]- | 376.28570 | 189.4 |
[M+Na-2H]- | 338.24652 | 179.0 |
[M]+ | 317.27130 | 171.3 |
[M]- | 317.27240 | 171.3 |