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]+ 353.15678 178.3
[M+Na]+ 375.13872 186.4
[M-H]- 351.14222 180.5
[M+NH4]+ 370.18332 186.8
[M+K]+ 391.11266 183.1
[M+H-H2O]+ 335.14676 170.9
[M+HCOO]- 397.14770 189.7
[M+CH3COO]- 411.16335 186.7
[M+Na-2H]- 373.12417 173.8
[M]+ 352.14895 176.7
[M]- 352.15005 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.