CID 135465479

2-amino-9-[(2r,5s)-4-azido-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1h-purin-6-one

Structural Information

Molecular Formula
C10H10N8O3
SMILES
C1=C([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H10N8O3/c11-10-14-8-7(9(20)15-10)13-3-18(8)6-1-4(16-17-12)5(2-19)21-6/h1,3,5-6,19H,2H2,(H3,11,14,15,20)/t5-,6-/m1/s1
InChIKey
HOPNNXPYNOZFTD-PHDIDXHHSA-N
Compound name
2-amino-9-[(2R,5S)-4-azido-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.0876 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09488 158.0
[M+Na]+ 313.07682 167.6
[M-H]- 289.08032 163.2
[M+NH4]+ 308.12142 169.8
[M+K]+ 329.05076 159.4
[M+H-H2O]+ 273.08486 153.0
[M+HCOO]- 335.08580 183.5
[M+CH3COO]- 349.10145 199.9
[M+Na-2H]- 311.06227 167.6
[M]+ 290.08705 156.3
[M]- 290.08815 156.3
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

No patent data available for this compound.