CID 451742

2'-piperidino dda

Structural Information

Molecular Formula
C15H22N6O2
SMILES
C1CCN(CC1)[C@@H]2C[C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)CO
InChI
InChI=1S/C15H22N6O2/c16-13-12-14(18-8-17-13)21(9-19-12)15-11(6-10(7-22)23-15)20-4-2-1-3-5-20/h8-11,15,22H,1-7H2,(H2,16,17,18)/t10-,11+,15+/m0/s1
InChIKey
GZHKLXHXQJAJBT-FIXISWKDSA-N
Compound name
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-piperidin-1-yloxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.18042 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18770 174.0
[M+Na]+ 341.16964 180.8
[M-H]- 317.17314 177.3
[M+NH4]+ 336.21424 183.3
[M+K]+ 357.14358 176.6
[M+H-H2O]+ 301.17768 163.3
[M+HCOO]- 363.17862 186.7
[M+CH3COO]- 377.19427 182.5
[M+Na-2H]- 339.15509 173.1
[M]+ 318.17987 169.9
[M]- 318.18097 169.9
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.