CID 118797615
83512-85-0
Structural Information
- Molecular Formula
- C20H37N3O14
- SMILES
- CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)N)O)CO)CO)OC3C(C(C(C(O3)CO)O)O)N)O
- InChI
- InChI=1S/C20H37N3O14/c1-5(27)23-11-15(31)17(36-19-10(22)13(29)12(28)6(2-24)34-19)8(4-26)35-20(11)37-16-7(3-25)33-18(32)9(21)14(16)30/h6-20,24-26,28-32H,2-4,21-22H2,1H3,(H,23,27)
- InChIKey
- HGNQXZLWHDQLRE-UHFFFAOYSA-N
- Compound name
- N-[5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 544.23482 | 225.6 |
[M+Na]+ | 566.21676 | 224.0 |
[M-H]- | 542.22026 | 217.9 |
[M+NH4]+ | 561.26136 | 224.8 |
[M+K]+ | 582.19070 | 227.9 |
[M+H-H2O]+ | 526.22480 | 218.4 |
[M+HCOO]- | 588.22574 | 226.8 |
[M+CH3COO]- | 602.24139 | 231.1 |
[M+Na-2H]- | 564.20221 | 255.3 |
[M]+ | 543.22699 | 228.5 |
[M]- | 543.22809 | 228.5 |