CID 240186

9-hexopyranosyl-9h-purin-6-amine

Structural Information

Molecular Formula
C11H15N5O5
SMILES
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(C(O3)CO)O)O)O)N
InChI
InChI=1S/C11H15N5O5/c12-9-5-10(14-2-13-9)16(3-15-5)11-8(20)7(19)6(18)4(1-17)21-11/h2-4,6-8,11,17-20H,1H2,(H2,12,13,14)
InChIKey
PAECLWKKOWTEJJ-UHFFFAOYSA-N
Compound name
2-(6-aminopurin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

297.10733 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 167.5
[M+Na]+ 320.09655 176.9
[M-H]- 296.10005 166.5
[M+NH4]+ 315.14115 176.1
[M+K]+ 336.07049 173.1
[M+H-H2O]+ 280.10459 159.2
[M+HCOO]- 342.10553 179.5
[M+CH3COO]- 356.12118 176.5
[M+Na-2H]- 318.08200 169.4
[M]+ 297.10678 165.8
[M]- 297.10788 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe