CID 45259168
13-(2-methylcrotonoyloxy)lupaninium
Structural Information
- Molecular Formula
- C20H30N2O3
- SMILES
- C/C=C(\C)/C(=O)O[C@H]1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4[C@@H]3CCCC4=O
- InChI
- InChI=1S/C20H30N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(22)23/h3,14-18H,4-12H2,1-2H3/b13-3+/t14-,15-,16+,17-,18-/m1/s1
- InChIKey
- UPVPJQNTGLTBPC-SJCLNHAISA-N
- Compound name
- [(1R,2R,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-2-methylbut-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 347.23293 | 183.9 |
[M+Na]+ | 369.21487 | 184.9 |
[M-H]- | 345.21837 | 182.3 |
[M+NH4]+ | 364.25947 | 197.0 |
[M+K]+ | 385.18881 | 180.5 |
[M+H-H2O]+ | 329.22291 | 174.6 |
[M+HCOO]- | 391.22385 | 186.6 |
[M+CH3COO]- | 405.23950 | 216.6 |
[M+Na-2H]- | 367.20032 | 182.3 |
[M]+ | 346.22510 | 175.7 |
[M]- | 346.22620 | 175.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.