CID 496474

Nsc690207

Structural Information

Molecular Formula
C11H13F2N5O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C3(F)F)CO)CO)N
InChI
InChI=1S/C11H13F2N5O2/c12-11(13)6(2-20)5(1-19)8(11)18-4-17-7-9(14)15-3-16-10(7)18/h3-6,8,19-20H,1-2H2,(H2,14,15,16)
InChIKey
INQKSENEGVZCST-UHFFFAOYSA-N
Compound name
[2-(6-aminopurin-9-yl)-3,3-difluoro-4-(hydroxymethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.10373 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11101 165.4
[M+Na]+ 308.09295 175.7
[M-H]- 284.09645 163.7
[M+NH4]+ 303.13755 173.0
[M+K]+ 324.06689 173.2
[M+H-H2O]+ 268.10099 150.7
[M+HCOO]- 330.10193 179.7
[M+CH3COO]- 344.11758 201.2
[M+Na-2H]- 306.07840 167.7
[M]+ 285.10318 172.4
[M]- 285.10428 172.4
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.