CID 165413933

(3s)-1-[9-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]pyrrolidin-3-ol

Structural Information

Molecular Formula
C14H19N5O4
SMILES
C1CN(C[C@H]1O)C2=NC=NC3=C2N=CN3[C@H]4C[C@H]([C@H](O4)CO)O
InChI
InChI=1S/C14H19N5O4/c20-5-10-9(22)3-11(23-10)19-7-17-12-13(15-6-16-14(12)19)18-2-1-8(21)4-18/h6-11,20-22H,1-5H2/t8-,9+,10+,11+/m0/s1
InChIKey
PYLJZMOFTFFTTH-LNFKQOIKSA-N
Compound name
(3S)-1-[9-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1437 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15098 171.2
[M+Na]+ 344.13292 179.4
[M-H]- 320.13642 174.1
[M+NH4]+ 339.17752 181.7
[M+K]+ 360.10686 176.3
[M+H-H2O]+ 304.14096 163.0
[M+HCOO]- 366.14190 183.5
[M+CH3COO]- 380.15755 180.5
[M+Na-2H]- 342.11837 167.9
[M]+ 321.14315 170.5
[M]- 321.14425 170.5
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.