CID 86289546
Neopikromycin(1+)
Structural Information
- Molecular Formula
- C28H47NO8
- SMILES
- C[C@H]1C[C@H](C(=O)/C=C/[C@H]([C@H](OC(=O)[C@@H](C(=O)[C@@H]([C@H]1O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)[C@@H](C)O)C)C
- InChI
- InChI=1S/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1
- InChIKey
- SXXXXTQMWPXIES-VJNSTPMQSA-N
- Compound name
- (3R,5R,6S,7S,9R,11E,13R,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-1-oxacyclotetradec-11-ene-2,4,10-trione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 526.33742 | 226.8 |
[M+Na]+ | 548.31936 | 230.2 |
[M-H]- | 524.32286 | 231.8 |
[M+NH4]+ | 543.36396 | 227.6 |
[M+K]+ | 564.29330 | 231.9 |
[M+H-H2O]+ | 508.32740 | 224.0 |
[M+HCOO]- | 570.32834 | 233.2 |
[M+CH3COO]- | 584.34399 | 252.7 |
[M+Na-2H]- | 546.30481 | 214.8 |
[M]+ | 525.32959 | 225.4 |
[M]- | 525.33069 | 225.4 |
Literature stripe
Patent stripe
No patent data available for this compound.