dG-C8-AaC
10249
Reference
dG-C8-AaC Structure
Systematic / IUPAC Name: 2-Amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(9H-pyrido[2,3-b]indol-2-ylamino)-1H-purin-6-one
ID: Reference10249
Other Names:
2-Amino-9-(2-deoxypentofuranosyl)-8-(1H-pyrido[2,3-b]indol-2-ylamino)-1,9-dihydro-6H-purin-6-one;
TUR-UMN-003
Formula: C21H20N8O4
Spectral Data
dG-C8-AaC mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1002 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/18/2021 2:32:19 PM |
Identificators
| InChI | InChI=1S/C21H20N8O4/c22-20-27-18-16(19(32)28-20)26-21(29(18)15-7-12(31)13(8-30)33-15)25-14-6-5-10-9-3-1-2-4-11(9)23-17(10)24-14/h1-6,12-13,15,30-31H,7-8H2,(H3,22,27,28,32)(H2,23,24,25,26) |
| InChI Key | ZRBVUIRPSABEGI-UHFFFAOYSA-N |
| Canonical SMILES | O=C1C(N=C(NC2=CC=C(C(C=CC=C3)=C3N4)C4=N2)N5C6OC(CO)C(O)C6)=C5N=C(N)N1 |
| CAS | |
| Splash | |
| Other Names |
2-Amino-9-(2-deoxypentofuranosyl)-8-(1H-pyrido[2,3-b]indol-2-ylamino)-1,9-dihydro-6H-purin-6-one; TUR-UMN-003 |