CID 5270841

(2r,3s,5r)-5-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C11H14N4O3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CNC3=C2N=CN=C3N)CO)O
InChI
InChI=1S/C11H14N4O3/c12-11-10-9(14-4-15-11)5(2-13-10)7-1-6(17)8(3-16)18-7/h2,4,6-8,13,16-17H,1,3H2,(H2,12,14,15)/t6-,7+,8+/m0/s1
InChIKey
GXKHHOBQRCQROE-XLPZGREQSA-N
Compound name
(2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.1066 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11388 153.3
[M+Na]+ 273.09582 162.6
[M-H]- 249.09932 154.8
[M+NH4]+ 268.14042 167.6
[M+K]+ 289.06976 158.8
[M+H-H2O]+ 233.10386 146.2
[M+HCOO]- 295.10480 170.3
[M+CH3COO]- 309.12045 164.4
[M+Na-2H]- 271.08127 155.5
[M]+ 250.10605 151.5
[M]- 250.10715 151.5
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.