CID 165413901

(3r,4r)-1-[9-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]pyrrolidine-3,4-diol

Structural Information

Molecular Formula
C14H19N5O5
SMILES
C1[C@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N4C[C@H]([C@@H](C4)O)O)CO)O
InChI
InChI=1S/C14H19N5O5/c20-4-10-7(21)1-11(24-10)19-6-17-12-13(15-5-16-14(12)19)18-2-8(22)9(23)3-18/h5-11,20-23H,1-4H2/t7-,8-,9-,10-,11-/m1/s1
InChIKey
LREZDUAXGJWHFY-ISUQUUIWSA-N
Compound name
(3R,4R)-1-[9-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1386 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14588 174.6
[M+Na]+ 360.12782 182.8
[M-H]- 336.13132 176.7
[M+NH4]+ 355.17242 184.0
[M+K]+ 376.10176 179.7
[M+H-H2O]+ 320.13586 167.1
[M+HCOO]- 382.13680 185.5
[M+CH3COO]- 396.15245 183.4
[M+Na-2H]- 358.11327 170.6
[M]+ 337.13805 174.0
[M]- 337.13915 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.