CID 6098435
Beta-d-glucopyranoside, 4,5-diphenyl-4h-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride
Structural Information
- Molecular Formula
- C28H29N3O9S
- SMILES
- CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
- InChI
- InChI=1S/C28H29N3O9S/c1-16(32)36-15-22-23(37-17(2)33)24(38-18(3)34)25(39-19(4)35)27(40-22)41-28-30-29-26(20-11-7-5-8-12-20)31(28)21-13-9-6-10-14-21/h5-14,22-25,27H,15H2,1-4H3/t22-,23-,24+,25-,27+/m1/s1
- InChIKey
- GOLHBVURINTTLS-NUPXYHBHSA-N
- Compound name
- [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 584.16978 | 233.3 |
[M+Na]+ | 606.15172 | 236.1 |
[M-H]- | 582.15522 | 242.7 |
[M+NH4]+ | 601.19632 | 232.3 |
[M+K]+ | 622.12566 | 235.7 |
[M+H-H2O]+ | 566.15976 | 222.5 |
[M+HCOO]- | 628.16070 | 240.8 |
[M+CH3COO]- | 642.17635 | 252.5 |
[M+Na-2H]- | 604.13717 | 226.0 |
[M]+ | 583.16195 | 242.1 |
[M]- | 583.16305 | 242.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.