CID 5288155
1,3-di(n-propyloxy-a-mannopyranosyl)-carbomyl 5-methyazido-benzene
Structural Information
- Molecular Formula
- C27H41N5O14
- SMILES
- C1=C(C=C(C=C1C(=O)NCCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)NCCCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CN=[N+]=[N-]
- InChI
- InChI=1S/C27H41N5O14/c28-32-31-10-13-7-14(24(41)29-3-1-5-43-26-22(39)20(37)18(35)16(11-33)45-26)9-15(8-13)25(42)30-4-2-6-44-27-23(40)21(38)19(36)17(12-34)46-27/h7-9,16-23,26-27,33-40H,1-6,10-12H2,(H,29,41)(H,30,42)/t16-,17-,18-,19-,20+,21+,22+,23+,26+,27+/m1/s1
- InChIKey
- GKRIMQPDERYOML-LHMXEDMUSA-N
- Compound name
- 5-(azidomethyl)-1-N,3-N-bis[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]benzene-1,3-dicarboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 660.27228 | 246.3 |
[M+Na]+ | 682.25422 | 246.0 |
[M-H]- | 658.25772 | 243.1 |
[M+NH4]+ | 677.29882 | 247.8 |
[M+K]+ | 698.22816 | 247.7 |
[M+H-H2O]+ | 642.26226 | 236.2 |
[M+HCOO]- | 704.26320 | 249.3 |
[M+CH3COO]- | 718.27885 | 269.5 |
[M+Na-2H]- | 680.23967 | 285.3 |
[M]+ | 659.26445 | 268.8 |
[M]- | 659.26555 | 268.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.