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

Adduct m/z Predicted CCS (Ų)
[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
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.