CID 71464585
6''-o-carbamoylkanamycin a(4+)
Structural Information
- Molecular Formula
- C19H37N5O12
- SMILES
- C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)N)O)N)O)N
- InChI
- InChI=1S/C19H37N5O12/c20-2-6-10(26)12(28)13(29)18(33-6)36-16-5(22)1-4(21)15(14(16)30)35-17-11(27)8(23)9(25)7(34-17)3-32-19(24)31/h4-18,25-30H,1-3,20-23H2,(H2,24,31)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
- InChIKey
- PRWQRPNQDIKFBR-NOAMYHISSA-N
- Compound name
- [(2R,3S,4S,5R,6S)-4-amino-6-[(1S,2R,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-2-yl]methyl carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 528.25118 | 219.8 |
[M+Na]+ | 550.23312 | 218.6 |
[M-H]- | 526.23662 | 212.0 |
[M+NH4]+ | 545.27772 | 219.4 |
[M+K]+ | 566.20706 | 224.3 |
[M+H-H2O]+ | 510.24116 | 209.9 |
[M+HCOO]- | 572.24210 | 221.4 |
[M+CH3COO]- | 586.25775 | 225.7 |
[M+Na-2H]- | 548.21857 | 252.7 |
[M]+ | 527.24335 | 226.8 |
[M]- | 527.24445 | 226.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.