CID 10439039
Dysinosin a
Structural Information
- Molecular Formula
- C26H45N6O10S
- SMILES
- CC(C)C[C@H](C(=O)N1[C@H]2C[C@@H]([C@H](C[C@H]2C[C@H]1C(=O)NCCC3=CC[N+](=C(N)N)C3)O)O)NC(=O)[C@@H](COS(=O)(=O)O)OC
- InChI
- InChI=1S/C26H44N6O10S/c1-14(2)8-17(30-24(36)22(41-3)13-42-43(38,39)40)25(37)32-18-11-21(34)20(33)10-16(18)9-19(32)23(35)29-6-4-15-5-7-31(12-15)26(27)28/h5,14,16-22,33-34H,4,6-13H2,1-3H3,(H6,27,28,29,30,35,36,38,39,40)/p+1/t16-,17-,18+,19+,20+,21+,22-/m1/s1
- InChIKey
- FJKGWCOVORXKMM-FAWMDMTCSA-O
- Compound name
- [(2R)-3-[[(2R)-1-[(2S,3aR,5S,6S,7aS)-2-[2-[1-(diaminomethylidene)-2,5-dihydropyrrol-1-ium-3-yl]ethylcarbamoyl]-5,6-dihydroxy-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-methoxy-3-oxopropyl] hydrogen sulfate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 634.29908 | 234.3 |
[M+Na]+ | 656.28102 | 238.0 |
[M-H]- | 632.28452 | 232.1 |
[M+NH4]+ | 651.32562 | 237.1 |
[M+K]+ | 672.25496 | 238.1 |
[M+H-H2O]+ | 616.28906 | 217.2 |
[M+HCOO]- | 678.29000 | 238.5 |
[M+CH3COO]- | 692.30565 | 259.6 |
[M+Na-2H]- | 654.26647 | 254.1 |
[M]+ | 633.29125 | 267.9 |
[M]- | 633.29235 | 267.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.