CID 6483054
Acetamide, 2,2'-(methylimino)bis[n-[6-[[(1r,2r,3s,5r,6s)-3,5-diamino-2-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-6-hydroxycyclohexyl]oxy]hexyl]-
Structural Information
- Molecular Formula
- C41H83N11O14
- SMILES
- CN(CC(=O)NCCCCCCO[C@@H]1[C@H]([C@@H](C[C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)N)N)O)CC(=O)NCCCCCCO[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CN)O)O)N)N)N)O
- InChI
- InChI=1S/C41H83N11O14/c1-52(18-26(53)50-10-6-2-4-8-12-61-38-30(55)20(44)14-22(46)36(38)65-40-28(48)34(59)32(57)24(16-42)63-40)19-27(54)51-11-7-3-5-9-13-62-39-31(56)21(45)15-23(47)37(39)66-41-29(49)35(60)33(58)25(17-43)64-41/h20-25,28-41,55-60H,2-19,42-49H2,1H3,(H,50,53)(H,51,54)/t20-,21-,22+,23+,24-,25-,28-,29-,30+,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m1/s1
- InChIKey
- SYAWPALCAQOTNZ-RDAVFFRFSA-N
- Compound name
- N-[6-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxyhexyl]-2-[[2-[6-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxyhexylamino]-2-oxoethyl]-methylamino]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 954.61938 | 288.2 |
[M+Na]+ | 976.60132 | 283.8 |
[M-H]- | 952.60482 | 283.3 |
[M+NH4]+ | 971.64592 | 287.4 |
[M+K]+ | 992.57526 | 293.9 |
[M+H-H2O]+ | 936.60936 | 276.1 |
[M+HCOO]- | 998.61030 | 287.5 |
[M+CH3COO]- | 1012.6260 | 289.7 |
[M+Na-2H]- | 974.58677 | 334.7 |
[M]+ | 953.61155 | 297.0 |
[M]- | 953.61265 | 297.0 |
Literature stripe
Patent stripe
No patent data available for this compound.