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

literature stripe

Patent stripe

patents stripe