CID 135412706

Hypoxanthine deriv. of noraristeromycin

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C1[C@H]([C@@H]([C@@H]([C@H]1O)O)O)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C10H12N4O4/c15-5-1-4(7(16)8(5)17)14-3-13-6-9(14)11-2-12-10(6)18/h2-5,7-8,15-17H,1H2,(H,11,12,18)/t4-,5+,7+,8-/m1/s1
InChIKey
FGBUWEZNDHHQFI-HETMPLHPSA-N
Compound name
9-[(1R,2S,3R,4S)-2,3,4-trihydroxycyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.08586 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 153.8
[M+Na]+ 275.07508 164.6
[M-H]- 251.07858 153.0
[M+NH4]+ 270.11968 167.8
[M+K]+ 291.04902 159.7
[M+H-H2O]+ 235.08312 146.7
[M+HCOO]- 297.08406 169.0
[M+CH3COO]- 311.09971 164.6
[M+Na-2H]- 273.06053 154.9
[M]+ 252.08531 152.4
[M]- 252.08641 152.4
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.