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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.151316	167.7
[M+Na]+	317.133258	176.2
[M-H]-	293.136764	171.0
[M+NH4]+	312.177863	178.4
[M+K]+	333.107198	174.8
[M+H-H2O]+	277.141300	158.9
[M+HCOO]-	339.142241	184.9
[M+CH3COO]-	353.157891	178.1
[M+Na-2H]-	315.118706	169.6
[M]+	294.14349142	169.5
[M]-	294.14458858	169.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.