CID 3006935

4-fluoro-2-hydroxymethyl-5-(6-methoxy-4,5-dihydro-purin-9-yl)-tetrahydro-furan-3-ol

Structural Information

Molecular Formula
C11H15FN4O4
SMILES
COC1=NC=NC2C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C11H15FN4O4/c1-19-10-7-9(13-3-14-10)16(4-15-7)11-6(12)8(18)5(2-17)20-11/h3-9,11,17-18H,2H2,1H3/t5-,6-,7?,8-,9?,11-/m1/s1
InChIKey
PZVRVDFONDQAIZ-MQFFUFFHSA-N
Compound name
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-(6-methoxy-4,5-dihydropurin-9-yl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.10773 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11501 162.9
[M+Na]+ 309.09695 172.2
[M-H]- 285.10045 162.9
[M+NH4]+ 304.14155 175.5
[M+K]+ 325.07089 169.9
[M+H-H2O]+ 269.10499 154.2
[M+HCOO]- 331.10593 175.7
[M+CH3COO]- 345.12158 173.1
[M+Na-2H]- 307.08240 162.2
[M]+ 286.10718 162.7
[M]- 286.10828 162.7
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.