CID 49767745

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

Structural Information

Molecular Formula
C12H18N6O3
SMILES
CC(C)NC1=C2C(=NC(=N1)N)N(C=N2)[C@H]3CO[C@H](O3)CO
InChI
InChI=1S/C12H18N6O3/c1-6(2)15-10-9-11(17-12(13)16-10)18(5-14-9)7-4-20-8(3-19)21-7/h5-8,19H,3-4H2,1-2H3,(H3,13,15,16,17)/t7-,8-/m1/s1
InChIKey
WUUGJEOAYUBUBN-HTQZYQBOSA-N
Compound name
[(2R,4R)-4-[2-amino-6-(propan-2-ylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.14404 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15132 167.7
[M+Na]+ 317.13326 176.2
[M-H]- 293.13676 171.0
[M+NH4]+ 312.17786 178.4
[M+K]+ 333.10720 174.8
[M+H-H2O]+ 277.14130 158.9
[M+HCOO]- 339.14224 184.9
[M+CH3COO]- 353.15789 178.1
[M+Na-2H]- 315.11871 169.6
[M]+ 294.14349 169.5
[M]- 294.14459 169.5
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.