CID 460467

Nsc656311

Structural Information

Molecular Formula
C12H15FN4O3
SMILES
CCOC1=NC=NC2=C1N=CN2[C@H]3[C@H](C[C@H](O3)CO)F
InChI
InChI=1S/C12H15FN4O3/c1-2-19-11-9-10(14-5-15-11)17(6-16-9)12-8(13)3-7(4-18)20-12/h5-8,12,18H,2-4H2,1H3/t7-,8-,12+/m0/s1
InChIKey
RKFMJBUFPFQUKM-YVZVNANGSA-N
Compound name
[(2S,4S,5R)-5-(6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.11282 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12010 160.6
[M+Na]+ 305.10204 171.2
[M-H]- 281.10554 162.2
[M+NH4]+ 300.14664 174.1
[M+K]+ 321.07598 168.5
[M+H-H2O]+ 265.11008 151.3
[M+HCOO]- 327.11102 177.3
[M+CH3COO]- 341.12667 172.0
[M+Na-2H]- 303.08749 162.3
[M]+ 282.11227 163.6
[M]- 282.11337 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.