CID 10155149
2-oxo-3-hydroxy-lysergide
Structural Information
- Molecular Formula
- C20H25N3O3
- SMILES
- CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3(C4=C(C2=C1)C=CC=C4NC3=O)O)C
- InChI
- InChI=1S/C20H25N3O3/c1-4-23(5-2)18(24)12-9-14-13-7-6-8-15-17(13)20(26,19(25)21-15)10-16(14)22(3)11-12/h6-9,12,16,26H,4-5,10-11H2,1-3H3,(H,21,25)/t12-,16-,20?/m1/s1
- InChIKey
- YSZSHHCNLVHCNV-VRORWYBRSA-N
- Compound name
- (6aR,9R)-N,N-diethyl-5a-hydroxy-7-methyl-5-oxo-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 356.19688 | 185.6 |
[M+Na]+ | 378.17882 | 191.7 |
[M-H]- | 354.18232 | 186.4 |
[M+NH4]+ | 373.22342 | 201.9 |
[M+K]+ | 394.15276 | 187.0 |
[M+H-H2O]+ | 338.18686 | 177.9 |
[M+HCOO]- | 400.18780 | 196.2 |
[M+CH3COO]- | 414.20345 | 219.1 |
[M+Na-2H]- | 376.16427 | 186.5 |
[M]+ | 355.18905 | 184.8 |
[M]- | 355.19015 | 184.8 |