CID 5273496

(2r,3r,4r,5r)-2-[6-[2-hydroxyethoxy(methyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C14H21N5O6
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N(C)OCCO)CO)O)O
InChI
InChI=1S/C14H21N5O6/c1-14(23)10(22)8(5-21)25-13(14)19-7-17-9-11(15-6-16-12(9)19)18(2)24-4-3-20/h6-8,10,13,20-23H,3-5H2,1-2H3/t8-,10-,13-,14-/m1/s1
InChIKey
JSKLHKOCVQGCLX-KNJXUWEQSA-N
Compound name
(2R,3R,4R,5R)-2-[6-[2-hydroxyethoxy(methyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.14917 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15645 176.2
[M+Na]+ 378.13839 184.6
[M-H]- 354.14189 177.3
[M+NH4]+ 373.18299 186.9
[M+K]+ 394.11233 183.5
[M+H-H2O]+ 338.14643 168.8
[M+HCOO]- 400.14737 190.9
[M+CH3COO]- 414.16302 209.1
[M+Na-2H]- 376.12384 178.2
[M]+ 355.14862 181.2
[M]- 355.14972 181.2
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.