CID 451580

120503-28-8

Structural Information

Molecular Formula
C15H21N5O2
SMILES
C1CCN(CC1)C2=NC=NC3=C2N=CN3[C@H]4CC[C@H](O4)CO
InChI
InChI=1S/C15H21N5O2/c21-8-11-4-5-12(22-11)20-10-18-13-14(16-9-17-15(13)20)19-6-2-1-3-7-19/h9-12,21H,1-8H2/t11-,12+/m0/s1
InChIKey
VWIRARAVFAPYHD-NWDGAFQWSA-N
Compound name
[(2S,5R)-5-(6-piperidin-1-ylpurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

303.16953 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17681 170.3
[M+Na]+ 326.15875 177.0
[M-H]- 302.16225 173.5
[M+NH4]+ 321.20335 180.4
[M+K]+ 342.13269 173.2
[M+H-H2O]+ 286.16679 159.3
[M+HCOO]- 348.16773 182.4
[M+CH3COO]- 362.18338 179.2
[M+Na-2H]- 324.14420 170.0
[M]+ 303.16898 167.2
[M]- 303.17008 167.2
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

patents stripe