CID 135508915

.beta.-l-2',3'-dideoxy-3'-fluoro--inosine

Structural Information

Molecular Formula
C10H11FN4O3
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=NC3=C2N=CNC3=O)CO)F
InChI
InChI=1S/C10H11FN4O3/c11-5-1-7(18-6(5)2-16)15-4-14-8-9(15)12-3-13-10(8)17/h3-7,16H,1-2H2,(H,12,13,17)/t5-,6+,7+/m1/s1
InChIKey
CNSPPTKGHNYALQ-VQVTYTSYSA-N
Compound name
9-[(2S,4R,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

254.08151 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08879 151.9
[M+Na]+ 277.07073 163.3
[M-H]- 253.07423 152.5
[M+NH4]+ 272.11533 165.8
[M+K]+ 293.04467 159.5
[M+H-H2O]+ 237.07877 143.2
[M+HCOO]- 299.07971 168.0
[M+CH3COO]- 313.09536 163.5
[M+Na-2H]- 275.05618 154.1
[M]+ 254.08096 151.8
[M]- 254.08206 151.8
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.