| SpectraBase Spectrum ID |
2oW3F6eP1Rw |
| Name |
5-Amino-1-beta-D-ribofuranosyl-imidazole-4-carboxamide 3ME IV |
| Classification |
Adenosine-regulating agent derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
300.143369755 u |
| Formula |
C12H20N4O5 |
| InChI |
InChI=1S/C12H20N4O5/c1-14-11-7(10(13)18)15-5-16(11)12-9(20-3)8(17)6(21-12)4-19-2/h5-6,8-9,12,14,17H,4H2,1-3H3,(H2,13,18)/t6-,8-,9-,12-/m1/s1 |
| InChIKey |
YHVSIVPXADOQDT-WOUKDFQISA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
300.315 g/mol |
| Nominal Mass |
300 u |
| Quality |
976 |
| Retention Index |
2545 |
| SMILES |
NC(C1=C(N([C@]2([C@@]([C@@]([C@](O2)(COC)[H])(O)[H])(OC)[H])[H])C=N1)NC)=O |
| SPLASH |
splash10-0nmv-9801000000-4dd06f7ca62fa65cf734 |
| Sample Comments |
Methyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
AICA-ribonucleoside 3ME IV
1-(4-hydroxy-3-methoxy-5-(methoxymethyl)oxolan-2-yl)-5-(methylamino)-1H-imidazole-4-carboxamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019714 |
