CID 511761

[(2r,5r)-3-fluoro-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-2-yl]-methanol

Structural Information

Molecular Formula
C11H14FN5O2
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3CC([C@H](O3)CO)F
InChI
InChI=1S/C11H14FN5O2/c1-13-10-9-11(15-4-14-10)17(5-16-9)8-2-6(12)7(3-18)19-8/h4-8,18H,2-3H2,1H3,(H,13,14,15)/t6?,7-,8-/m1/s1
InChIKey
BDZVFPDFNFDGNG-SPDVFEMOSA-N
Compound name
[(2R,5R)-3-fluoro-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.11316 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12044 156.9
[M+Na]+ 290.10238 167.3
[M-H]- 266.10588 158.7
[M+NH4]+ 285.14698 170.8
[M+K]+ 306.07632 164.1
[M+H-H2O]+ 250.11042 147.5
[M+HCOO]- 312.11136 174.9
[M+CH3COO]- 326.12701 168.4
[M+Na-2H]- 288.08783 159.8
[M]+ 267.11261 157.6
[M]- 267.11371 157.6
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.