CID 3064758
6-methyl-8-((2-methyl-1h-imidazol-1-yl)methyl)ergoline (8-beta)-
Structural Information
- Molecular Formula
- C20H24N4
- SMILES
- CC1=NC=CN1C[C@@H]2CC3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C
- InChI
- InChI=1S/C20H24N4/c1-13-21-6-7-24(13)12-14-8-17-16-4-3-5-18-20(16)15(10-22-18)9-19(17)23(2)11-14/h3-7,10,14,17,19,22H,8-9,11-12H2,1-2H3/t14-,17?,19-/m1/s1
- InChIKey
- KICRPDAGZSXLBE-LJMFKLJISA-N
- Compound name
- (6aR,9R)-7-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.20738 | 179.9 |
[M+Na]+ | 343.18932 | 188.6 |
[M-H]- | 319.19282 | 182.3 |
[M+NH4]+ | 338.23392 | 195.2 |
[M+K]+ | 359.16326 | 180.7 |
[M+H-H2O]+ | 303.19736 | 169.8 |
[M+HCOO]- | 365.19830 | 191.9 |
[M+CH3COO]- | 379.21395 | 188.9 |
[M+Na-2H]- | 341.17477 | 179.7 |
[M]+ | 320.19955 | 178.6 |
[M]- | 320.20065 | 178.6 |
Literature stripe
No literature data available for this compound.