CID 451365

((2r,3s,5r)-5-(2,6-diamino-9h-purin-9-yl)-3-fluorotetrahydrofuran-2-yl)methanol

Structural Information

Molecular Formula
C10H13FN6O2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)CO)F
InChI
InChI=1S/C10H13FN6O2/c11-4-1-6(19-5(4)2-18)17-3-14-7-8(12)15-10(13)16-9(7)17/h3-6,18H,1-2H2,(H4,12,13,15,16)/t4-,5+,6+/m0/s1
InChIKey
VWQYIIIPRYCMSY-KVQBGUIXSA-N
Compound name
[(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-3-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

268.1084 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11568 157.0
[M+Na]+ 291.09762 167.8
[M-H]- 267.10112 158.5
[M+NH4]+ 286.14222 170.2
[M+K]+ 307.07156 164.1
[M+H-H2O]+ 251.10566 147.8
[M+HCOO]- 313.10660 175.1
[M+CH3COO]- 327.12225 168.2
[M+Na-2H]- 289.08307 158.6
[M]+ 268.10785 155.3
[M]- 268.10895 155.3
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

patents stripe