CID 5273303

4-fluoro-2-hydroxymethyl-5-(2-methylamino-purin-9-yl)-tetrahydro-furan-3-ol

Structural Information

Molecular Formula
C11H14FN5O3
SMILES
CNC1=NC=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C11H14FN5O3/c1-13-11-14-2-5-9(16-11)17(4-15-5)10-7(12)8(19)6(3-18)20-10/h2,4,6-8,10,18-19H,3H2,1H3,(H,13,14,16)/t6-,7-,8-,10-/m1/s1
InChIKey
DQHJSGYQBVBZPO-FDDDBJFASA-N
Compound name
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[2-(methylamino)purin-9-yl]oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.10806 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11534 160.7
[M+Na]+ 306.09728 171.2
[M-H]- 282.10078 161.6
[M+NH4]+ 301.14188 173.3
[M+K]+ 322.07122 167.8
[M+H-H2O]+ 266.10532 151.7
[M+HCOO]- 328.10626 177.3
[M+CH3COO]- 342.12191 171.6
[M+Na-2H]- 304.08273 162.6
[M]+ 283.10751 161.4
[M]- 283.10861 161.4
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.