CID 452786

2'dimenhda

Structural Information

Molecular Formula

C₁₂H₁₈N₆O₃

SMILES

CN(C)[C@@H]1[C@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O

InChI

InChI=1S/C12H18N6O3/c1-17(2)8-9(20)6(3-19)21-12(8)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,19-20H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9+,12-/m1/s1

InChIKey

GKRIKPNTHXMECI-QRKAXHLRSA-N

Compound name

(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(dimethylamino)-2-(hydroxymethyl)oxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 294.14404 Da
Monoisotopic Mass: -0.3
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	166.5
[M+Na]+	317.133258	175.8
[M-H]-	293.136764	169.8
[M+NH4]+	312.177863	178.9
[M+K]+	333.107198	173.7
[M+H-H2O]+	277.141300	158.0
[M+HCOO]-	339.142241	184.8
[M+CH3COO]-	353.157891	177.4
[M+Na-2H]-	315.118706	167.7
[M]+	294.14349142	168.2
[M]-	294.14458858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.