| SpectraBase Spectrum ID |
8HB0xPYyRua |
| Name |
5-Amino-1-beta-D-ribofuranosyl-imidazole-4-carboxamide 3ME II |
| 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/c1-15(2)11-7(10(13)19)14-5-16(11)12-8(18)9(20-3)6(4-17)21-12/h5-6,8-9,12,17-18H,4H2,1-3H3,(H2,13,19)/t6-,8-,9-,12-/m1/s1 |
| InChIKey |
BTTCZEKIQSIEMD-WOUKDFQISA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
300.315 g/mol |
| Nominal Mass |
300 u |
| Quality |
983 |
| Retention Index |
2497 |
| SMILES |
NC(C1=C(N([C@]2([C@@]([C@@]([C@](O2)(CO)[H])(OC)[H])(O)[H])[H])C=N1)N(C)C)=O |
| SPLASH |
splash10-006w-9600000000-c69c6a4912a419425b6f |
| Sample Comments |
Methyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
AICA-ribonucleoside 3ME II
5-(dimethylamino)-1-(3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl)-1H-imidazole-4-carboxamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019712 |
