CID 479299

Chembl2373305

Structural Information

Molecular Formula
C11H16N6O2
SMILES
C1CN([C@@H]([C@H]1CO)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H16N6O2/c12-10-9-11(14-5-13-10)17(6-15-9)16-2-1-7(3-18)8(16)4-19/h5-8,18-19H,1-4H2,(H2,12,13,14)/t7-,8-/m1/s1
InChIKey
HZVZETZOOHJEBT-HTQZYQBOSA-N
Compound name
[(2S,3S)-1-(6-aminopurin-9-yl)-2-(hydroxymethyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.13348 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14076 159.1
[M+Na]+ 287.12270 168.8
[M-H]- 263.12620 158.8
[M+NH4]+ 282.16730 172.1
[M+K]+ 303.09664 164.1
[M+H-H2O]+ 247.13074 150.0
[M+HCOO]- 309.13168 175.6
[M+CH3COO]- 323.14733 169.4
[M+Na-2H]- 285.10815 160.8
[M]+ 264.13293 158.0
[M]- 264.13403 158.0
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

No patent data available for this compound.