CID 73729048
Glcnac-1,6-anhmurnac
Structural Information
- Molecular Formula
- C19H30N2O12
- SMILES
- C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C
- InChI
- InChI=1S/C19H30N2O12/c1-6(17(27)28)30-16-12(21-8(3)24)18-29-5-10(32-18)15(16)33-19-11(20-7(2)23)14(26)13(25)9(4-22)31-19/h6,9-16,18-19,22,25-26H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19+/m1/s1
- InChIKey
- MWWQKONGFKUAEK-STFZFCBQSA-N
- Compound name
- (2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 479.18715 | 205.7 |
[M+Na]+ | 501.16909 | 204.7 |
[M-H]- | 477.17259 | 206.9 |
[M+NH4]+ | 496.21369 | 208.7 |
[M+K]+ | 517.14303 | 209.5 |
[M+H-H2O]+ | 461.17713 | 200.2 |
[M+HCOO]- | 523.17807 | 209.8 |
[M+CH3COO]- | 537.19372 | 240.6 |
[M+Na-2H]- | 499.15454 | 241.2 |
[M]+ | 478.17932 | 226.0 |
[M]- | 478.18042 | 226.0 |
Literature stripe
Patent stripe
No patent data available for this compound.