CID 469774

[(2r,3r,6s)-2-(6-aminopurin-9-yl)-3-fluoro-3,6-dihydro-2h-pyran-6-yl]methanol

Structural Information

Molecular Formula
C11H12FN5O2
SMILES
C1=C[C@H]([C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)N)F
InChI
InChI=1S/C11H12FN5O2/c12-7-2-1-6(3-18)19-11(7)17-5-16-8-9(13)14-4-15-10(8)17/h1-2,4-7,11,18H,3H2,(H2,13,14,15)/t6-,7+,11+/m0/s1
InChIKey
RQZAZKAUOHYNHY-MVKOHCKWSA-N
Compound name
[(2R,3R,6S)-2-(6-aminopurin-9-yl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.0975 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10478 158.1
[M+Na]+ 288.08672 168.9
[M-H]- 264.09022 159.1
[M+NH4]+ 283.13132 169.8
[M+K]+ 304.06066 164.5
[M+H-H2O]+ 248.09476 147.8
[M+HCOO]- 310.09570 174.5
[M+CH3COO]- 324.11135 169.0
[M+Na-2H]- 286.07217 162.8
[M]+ 265.09695 156.9
[M]- 265.09805 156.9
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.