CID 6482570

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

Structural Information

Molecular Formula
C13H20N6O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N(CCO)N)CO)O)O
InChI
InChI=1S/C13H20N6O5/c1-13(23)9(22)7(4-21)24-12(13)18-6-17-8-10(18)15-5-16-11(8)19(14)2-3-20/h5-7,9,12,20-23H,2-4,14H2,1H3/t7-,9-,12-,13-/m1/s1
InChIKey
GBWAZTZYDZOEGY-NHULRPGXSA-N
Compound name
(2R,3R,4R,5R)-2-[6-[amino(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1495 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15678 173.0
[M+Na]+ 363.13872 181.2
[M-H]- 339.14222 173.9
[M+NH4]+ 358.18332 183.8
[M+K]+ 379.11266 179.4
[M+H-H2O]+ 323.14676 165.5
[M+HCOO]- 385.14770 188.3
[M+CH3COO]- 399.16335 209.0
[M+Na-2H]- 361.12417 175.1
[M]+ 340.14895 174.7
[M]- 340.15005 174.7
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.