CID 5273502

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

Structural Information

Molecular Formula
C13H19N5O6
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NOCCO)CO)O)O
InChI
InChI=1S/C13H19N5O6/c1-13(22)9(21)7(4-20)24-12(13)18-6-16-8-10(17-23-3-2-19)14-5-15-11(8)18/h5-7,9,12,19-22H,2-4H2,1H3,(H,14,15,17)/t7-,9-,12-,13-/m1/s1
InChIKey
STAUSXZZTDXBIJ-NHULRPGXSA-N
Compound name
(2R,3R,4R,5R)-2-[6-(2-hydroxyethoxyamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.13354 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14082 171.8
[M+Na]+ 364.12276 180.6
[M-H]- 340.12626 171.6
[M+NH4]+ 359.16736 182.5
[M+K]+ 380.09670 178.2
[M+H-H2O]+ 324.13080 164.5
[M+HCOO]- 386.13174 186.3
[M+CH3COO]- 400.14739 203.3
[M+Na-2H]- 362.10821 174.9
[M]+ 341.13299 175.4
[M]- 341.13409 175.4
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.