CID 135398739

Didanosine

Structural Information

Molecular Formula
C10H12N4O3
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
InChIKey
BXZVVICBKDXVGW-NKWVEPMBSA-N
Compound name
9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3040
References

62010
Patents

236.09094 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09822 149.0
[M+Na]+ 259.08016 159.4
[M-H]- 235.08366 150.5
[M+NH4]+ 254.12476 163.3
[M+K]+ 275.05410 156.2
[M+H-H2O]+ 219.08820 140.9
[M+HCOO]- 281.08914 166.1
[M+CH3COO]- 295.10479 160.8
[M+Na-2H]- 257.06561 152.5
[M]+ 236.09039 149.4
[M]- 236.09149 149.4
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

patents stripe