CID 165414144

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

Structural Information

Molecular Formula
C14H20N6O5
SMILES
C1[C@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3N4C[C@@H]([C@H](C4)O)O)N)CO)O
InChI
InChI=1S/C14H20N6O5/c15-14-17-12(19-2-7(23)8(24)3-19)11-13(18-14)20(5-16-11)10-1-6(22)9(4-21)25-10/h5-10,21-24H,1-4H2,(H2,15,17,18)/t6-,7+,8+,9-,10-/m1/s1
InChIKey
JEUFHDPYACHYBK-SOYHJAILSA-N
Compound name
(3S,4S)-1-[2-amino-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

352.1495 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.156776 178.3
[M+Na]+ 375.138718 186.4
[M-H]- 351.142224 180.5
[M+NH4]+ 370.183323 186.8
[M+K]+ 391.112658 183.1
[M+H-H2O]+ 335.146760 170.9
[M+HCOO]- 397.147701 189.7
[M+CH3COO]- 411.163351 186.7
[M+Na-2H]- 373.124166 173.8
[M]+ 352.14895142 176.7
[M]- 352.15004858 176.7
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.