CID 135444915

Nsc690200

Structural Information

Molecular Formula
C11H11F3N4O4
SMILES
C1C(C(OC1N2C=NC3=C2N=CNC3=O)(CO)C(F)(F)F)O
InChI
InChI=1S/C11H11F3N4O4/c12-11(13,14)10(2-19)5(20)1-6(22-10)18-4-17-7-8(18)15-3-16-9(7)21/h3-6,19-20H,1-2H2,(H,15,16,21)
InChIKey
IDWICQIAPDWQIO-UHFFFAOYSA-N
Compound name
9-[4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.07324 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08052 164.1
[M+Na]+ 343.06246 175.8
[M-H]- 319.06596 161.5
[M+NH4]+ 338.10706 176.6
[M+K]+ 359.03640 171.7
[M+H-H2O]+ 303.07050 155.2
[M+HCOO]- 365.07144 174.9
[M+CH3COO]- 379.08709 195.3
[M+Na-2H]- 341.04791 167.3
[M]+ 320.07269 161.8
[M]- 320.07379 161.8
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.