CID 452963

F-c-oxt-a

Structural Information

Molecular Formula
C11H14FN5O2
SMILES
C1[C@H]([C@@H]([C@]1(CO)F)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H14FN5O2/c12-11(3-19)1-7(6(11)2-18)17-5-16-8-9(13)14-4-15-10(8)17/h4-7,18-19H,1-3H2,(H2,13,14,15)/t6-,7+,11-/m0/s1
InChIKey
FMEQWFGAYHJWAO-CVJICSNFSA-N
Compound name
[(1R,2R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-2-(hydroxymethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

267.11316 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12044 161.5
[M+Na]+ 290.10238 170.9
[M-H]- 266.10588 160.7
[M+NH4]+ 285.14698 169.7
[M+K]+ 306.07632 169.0
[M+H-H2O]+ 250.11042 147.4
[M+HCOO]- 312.11136 176.9
[M+CH3COO]- 326.12701 197.4
[M+Na-2H]- 288.08783 165.2
[M]+ 267.11261 169.1
[M]- 267.11371 169.1
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.