CID 467289

Nsc655258

Structural Information

Molecular Formula

C₁₂H₁₆FN₅O₂

SMILES

CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@H](C[C@H](O3)CO)F

InChI

InChI=1S/C12H16FN5O2/c1-17(2)10-9-11(15-5-14-10)18(6-16-9)12-8(13)3-7(4-19)20-12/h5-8,12,19H,3-4H2,1-2H3/t7-,8-,12+/m0/s1

InChIKey

IGSLJTZPGMHMSW-YVZVNANGSA-N

Compound name

[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-fluorooxolan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 281.1288 Da
Monoisotopic Mass: 0.6
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]+	282.13608	161.8
[M+Na]+	304.11802	171.8
[M-H]-	280.12152	164.8
[M+NH4]+	299.16262	175.7
[M+K]+	320.09196	169.7
[M+H-H2O]+	264.12606	152.1
[M+HCOO]-	326.12700	179.9
[M+CH3COO]-	340.14265	173.3
[M+Na-2H]-	302.10347	163.4
[M]+	281.12825	164.0
[M]-	281.12935	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe