CID 135538681

6'-f-carbocyclicddg

Structural Information

Molecular Formula
C11H14FN5O2
SMILES
C1C[C@@H]([C@@H]([C@@H]1CO)F)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H14FN5O2/c12-7-5(3-18)1-2-6(7)17-4-14-8-9(17)15-11(13)16-10(8)19/h4-7,18H,1-3H2,(H3,13,15,16,19)/t5-,6-,7+/m0/s1
InChIKey
OYEGZDOKSWDHHD-LYFYHCNISA-N
Compound name
2-amino-9-[(1S,2R,3S)-2-fluoro-3-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.11316 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12044 157.4
[M+Na]+ 290.10238 168.3
[M-H]- 266.10588 157.3
[M+NH4]+ 285.14698 171.8
[M+K]+ 306.07632 162.6
[M+H-H2O]+ 250.11042 148.5
[M+HCOO]- 312.11136 174.3
[M+CH3COO]- 326.12701 168.2
[M+Na-2H]- 288.08783 157.9
[M]+ 267.11261 154.5
[M]- 267.11371 154.5
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.