CID 5273486

(2r,3r,4r,5r)-5-(hydroxymethyl)-3-methyl-2-[6-(tetrahydrofuran-2-ylmethylamino)purin-9-yl]tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C16H23N5O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCC4CCCO4)CO)O)O
InChI
InChI=1S/C16H23N5O5/c1-16(24)12(23)10(6-22)26-15(16)21-8-20-11-13(18-7-19-14(11)21)17-5-9-3-2-4-25-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,19)/t9?,10-,12-,15-,16-/m1/s1
InChIKey
IRMUAFUCGFEXOI-JKOWTHHMSA-N
Compound name
(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.16992 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17720 178.8
[M+Na]+ 388.15914 186.0
[M-H]- 364.16264 183.4
[M+NH4]+ 383.20374 189.2
[M+K]+ 404.13308 184.4
[M+H-H2O]+ 348.16718 171.7
[M+HCOO]- 410.16812 192.0
[M+CH3COO]- 424.18377 187.9
[M+Na-2H]- 386.14459 178.0
[M]+ 365.16937 180.1
[M]- 365.17047 180.1
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.