CID 452991

Inosine, 2',3'-dideoxy-6-o-hexyl-

Structural Information

Molecular Formula
C16H24N4O3
SMILES
CCCCCCOC1=NC=NC2=C1N=CN2[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C16H24N4O3/c1-2-3-4-5-8-22-16-14-15(17-10-18-16)20(11-19-14)13-7-6-12(9-21)23-13/h10-13,21H,2-9H2,1H3/t12-,13+/m0/s1
InChIKey
SUXOEXDKWQPOGO-QWHCGFSZSA-N
Compound name
[(2S,5R)-5-(6-hexoxypurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18484 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19212 175.4
[M+Na]+ 343.17406 183.1
[M-H]- 319.17756 177.1
[M+NH4]+ 338.21866 187.0
[M+K]+ 359.14800 180.1
[M+H-H2O]+ 303.18210 165.8
[M+HCOO]- 365.18304 191.7
[M+CH3COO]- 379.19869 204.1
[M+Na-2H]- 341.15951 176.2
[M]+ 320.18429 180.2
[M]- 320.18539 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.