CID 493019

[(2s,4r)-4-(2-amino-6-propoxy-purin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol

Structural Information

Molecular Formula
C15H21N5O2
SMILES
CCCOC1=NC(=NC2=C1N=CN2[C@@H]3C[C@@H](C4C3C4)CO)N
InChI
InChI=1S/C15H21N5O2/c1-2-3-22-14-12-13(18-15(16)19-14)20(7-17-12)11-4-8(6-21)9-5-10(9)11/h7-11,21H,2-6H2,1H3,(H2,16,18,19)/t8-,9?,10?,11-/m1/s1
InChIKey
HURCDJQGCWFXHN-AGVGLQIMSA-N
Compound name
[(2S,4R)-4-(2-amino-6-propoxypurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.16953 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17681 178.7
[M+Na]+ 326.15875 190.9
[M-H]- 302.16225 181.9
[M+NH4]+ 321.20335 188.9
[M+K]+ 342.13269 182.9
[M+H-H2O]+ 286.16679 170.9
[M+HCOO]- 348.16773 196.4
[M+CH3COO]- 362.18338 188.6
[M+Na-2H]- 324.14420 179.1
[M]+ 303.16898 184.0
[M]- 303.17008 184.0
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

No patent data available for this compound.