CID 461321

[(2s,5r)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-2,5-dihydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C13H16N6O2
SMILES
C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@H]4C=C[C@H](O4)CO
InChI
InChI=1S/C13H16N6O2/c14-13-17-11(16-7-1-2-7)10-12(18-13)19(6-15-10)9-4-3-8(5-20)21-9/h3-4,6-9,20H,1-2,5H2,(H3,14,16,17,18)/t8-,9+/m0/s1
InChIKey
NVYDRYQHBGGDQE-DTWKUNHWSA-N
Compound name
[(2S,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-2,5-dihydrofuran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

288.13348 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14076 167.1
[M+Na]+ 311.12270 178.7
[M-H]- 287.12620 173.5
[M+NH4]+ 306.16730 174.9
[M+K]+ 327.09664 172.4
[M+H-H2O]+ 271.13074 158.8
[M+HCOO]- 333.13168 187.5
[M+CH3COO]- 347.14733 177.8
[M+Na-2H]- 309.10815 170.2
[M]+ 288.13293 170.4
[M]- 288.13403 170.4
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.