CID 16097992

(2r,3r,5s)-2-[6-(2-furyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C14H14N4O4
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)C4=CC=CO4)CO
InChI
InChI=1S/C14H14N4O4/c19-5-8-4-9(20)14(22-8)18-7-17-12-11(10-2-1-3-21-10)15-6-16-13(12)18/h1-3,6-9,14,19-20H,4-5H2/t8-,9+,14+/m0/s1
InChIKey
YYAMTJFVFKRTIN-ATEUNZGCSA-N
Compound name
(2R,3R,5S)-2-[6-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1015 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 163.0
[M+Na]+ 325.09072 173.1
[M-H]- 301.09422 169.3
[M+NH4]+ 320.13532 175.0
[M+K]+ 341.06466 171.4
[M+H-H2O]+ 285.09876 155.7
[M+HCOO]- 347.09970 180.0
[M+CH3COO]- 361.11535 174.7
[M+Na-2H]- 323.07617 163.3
[M]+ 302.10095 166.5
[M]- 302.10205 166.5
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.