CID 49767744

[(2r,4r)-4-[2-amino-6-(dimethylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol

Structural Information

Molecular Formula
C11H16N6O3
SMILES
CN(C)C1=NC(=NC2=C1N=CN2[C@H]3CO[C@H](O3)CO)N
InChI
InChI=1S/C11H16N6O3/c1-16(2)9-8-10(15-11(12)14-9)17(5-13-8)6-4-19-7(3-18)20-6/h5-7,18H,3-4H2,1-2H3,(H2,12,14,15)/t6-,7-/m1/s1
InChIKey
JUUXDKHZQGDVMB-RNFRBKRXSA-N
Compound name
[(2R,4R)-4-[2-amino-6-(dimethylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.1284 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13568 163.0
[M+Na]+ 303.11762 172.4
[M-H]- 279.12112 167.8
[M+NH4]+ 298.16222 174.9
[M+K]+ 319.09156 172.0
[M+H-H2O]+ 263.12566 154.2
[M+HCOO]- 325.12660 182.0
[M+CH3COO]- 339.14225 174.6
[M+Na-2H]- 301.10307 165.8
[M]+ 280.12785 166.2
[M]- 280.12895 166.2
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.