CID 467290

Nsc655259

Structural Information

Molecular Formula
C12H16FN5O2
SMILES
CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H](C[C@H](O3)CO)F
InChI
InChI=1S/C12H16FN5O2/c1-2-14-10-9-11(16-5-15-10)18(6-17-9)12-8(13)3-7(4-19)20-12/h5-8,12,19H,2-4H2,1H3,(H,14,15,16)/t7-,8-,12+/m0/s1
InChIKey
OEUJSVDESAZDLX-YVZVNANGSA-N
Compound name
[(2S,4S,5R)-5-[6-(ethylamino)purin-9-yl]-4-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 161.4
[M+Na]+ 304.11802 171.3
[M-H]- 280.12152 162.9
[M+NH4]+ 299.16262 174.6
[M+K]+ 320.09196 167.8
[M+H-H2O]+ 264.12606 151.7
[M+HCOO]- 326.12700 179.0
[M+CH3COO]- 340.14265 172.4
[M+Na-2H]- 302.10347 163.8
[M]+ 281.12825 162.4
[M]- 281.12935 162.4
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.