CID 65667
Epicriptine
Structural Information
- Molecular Formula
- C32H43N5O5
- SMILES
- CC[C@@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O
- InChI
- InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20-,22-,24-,25+,27+,31-,32+/m1/s1
- InChIKey
- SBFXHXZNBNFPHV-PXXBSISHSA-N
- Compound name
- (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-[(2R)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-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]+ | 578.33368 | 234.6 |
[M+Na]+ | 600.31562 | 237.3 |
[M-H]- | 576.31912 | 236.8 |
[M+NH4]+ | 595.36022 | 243.6 |
[M+K]+ | 616.28956 | 232.6 |
[M+H-H2O]+ | 560.32366 | 227.0 |
[M+HCOO]- | 622.32460 | 231.6 |
[M+CH3COO]- | 636.34025 | 237.0 |
[M+Na-2H]- | 598.30107 | 225.1 |
[M]+ | 577.32585 | 232.5 |
[M]- | 577.32695 | 232.5 |