CID 135483720

2-fluoro-9-[(2r,4s)-4-(hydroxymethyl)-4-methyl-tetrahydrofuran-2-yl]-1h-purin-6-one

Structural Information

Molecular Formula
C11H13FN4O3
SMILES
C[C@]1(C[C@@H](OC1)N2C=NC3=C2N=C(NC3=O)F)CO
InChI
InChI=1S/C11H13FN4O3/c1-11(3-17)2-6(19-4-11)16-5-13-7-8(16)14-10(12)15-9(7)18/h5-6,17H,2-4H2,1H3,(H,14,15,18)/t6-,11+/m1/s1
InChIKey
WOTSBQIJXCJUQA-KBUNVGBDSA-N
Compound name
2-fluoro-9-[(2R,4S)-4-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.09717 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10445 155.1
[M+Na]+ 291.08639 167.1
[M-H]- 267.08989 155.9
[M+NH4]+ 286.13099 170.5
[M+K]+ 307.06033 163.3
[M+H-H2O]+ 251.09443 146.8
[M+HCOO]- 313.09537 170.9
[M+CH3COO]- 327.11102 166.8
[M+Na-2H]- 289.07184 158.2
[M]+ 268.09662 155.7
[M]- 268.09772 155.7
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.