CID 17756703

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

Structural Information

Molecular Formula
C11H16N6O3
SMILES
CCNC1=C2C(=NC(=N1)N)N(C=N2)[C@H]3CO[C@H](O3)CO
InChI
InChI=1S/C11H16N6O3/c1-2-13-9-8-10(16-11(12)15-9)17(5-14-8)6-4-19-7(3-18)20-6/h5-7,18H,2-4H2,1H3,(H3,12,13,15,16)/t6-,7-/m1/s1
InChIKey
BGMGGZCWRPLGJI-RNFRBKRXSA-N
Compound name
[(2R,4R)-4-[2-amino-6-(ethylamino)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

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13568 162.1
[M+Na]+ 303.11762 171.4
[M-H]- 279.12112 165.5
[M+NH4]+ 298.16222 173.5
[M+K]+ 319.09156 169.7
[M+H-H2O]+ 263.12566 153.4
[M+HCOO]- 325.12660 180.7
[M+CH3COO]- 339.14225 173.2
[M+Na-2H]- 301.10307 165.7
[M]+ 280.12785 164.2
[M]- 280.12895 164.2
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.