CID 5273507

2-(6-furan-2-yl-purin-9-yl)-5-hydroxymethyl-3-methyl-tetrahydro-furan-3,4-diol

Structural Information

Molecular Formula
C15H16N4O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)C4=CC=CO4)CO)O)O
InChI
InChI=1S/C15H16N4O5/c1-15(22)12(21)9(5-20)24-14(15)19-7-18-11-10(8-3-2-4-23-8)16-6-17-13(11)19/h2-4,6-7,9,12,14,20-22H,5H2,1H3/t9-,12-,14-,15-/m1/s1
InChIKey
XRODFOQQRZXDFK-WZZPKWGDSA-N
Compound name
(2R,3R,4R,5R)-2-[6-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.11206 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11934 169.6
[M+Na]+ 355.10128 180.4
[M-H]- 331.10478 175.4
[M+NH4]+ 350.14588 182.0
[M+K]+ 371.07522 178.6
[M+H-H2O]+ 315.10932 163.2
[M+HCOO]- 377.11026 185.1
[M+CH3COO]- 391.12591 180.9
[M+Na-2H]- 353.08673 170.0
[M]+ 332.11151 174.0
[M]- 332.11261 174.0
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.