CID 5278746

D-2'f-c-d4a

Structural Information

Molecular Formula
C11H12FN5O
SMILES
C1[C@@H](C=C([C@@H]1N2C=NC3=C(N=CN=C32)N)F)CO
InChI
InChI=1S/C11H12FN5O/c12-7-1-6(3-18)2-8(7)17-5-16-9-10(13)14-4-15-11(9)17/h1,4-6,8,18H,2-3H2,(H2,13,14,15)/t6-,8-/m1/s1
InChIKey
LUPNKJHXOGNGOK-HTRCEHHLSA-N
Compound name
[(1S,4R)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.10258 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10986 152.2
[M+Na]+ 272.09180 163.7
[M-H]- 248.09530 153.4
[M+NH4]+ 267.13640 168.0
[M+K]+ 288.06574 158.5
[M+H-H2O]+ 232.09984 142.8
[M+HCOO]- 294.10078 171.8
[M+CH3COO]- 308.11643 164.1
[M+Na-2H]- 270.07725 154.9
[M]+ 249.10203 151.5
[M]- 249.10313 151.5
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.