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

literature stripe

Patent stripe

patents stripe