CID 452778

2'-piperidino-da

Structural Information

Molecular Formula
C15H22N6O3
SMILES
C1CCN(CC1)[C@@H]2[C@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)CO)O
InChI
InChI=1S/C15H22N6O3/c16-13-10-14(18-7-17-13)21(8-19-10)15-11(12(23)9(6-22)24-15)20-4-2-1-3-5-20/h7-9,11-12,15,22-23H,1-6H2,(H2,16,17,18)/t9-,11-,12+,15-/m1/s1
InChIKey
RLLXRWUSUDCYKT-ADGXKJENSA-N
Compound name
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.17532 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18260 177.8
[M+Na]+ 357.16454 184.7
[M-H]- 333.16804 180.3
[M+NH4]+ 352.20914 185.9
[M+K]+ 373.13848 180.4
[M+H-H2O]+ 317.17258 167.7
[M+HCOO]- 379.17352 189.1
[M+CH3COO]- 393.18917 185.8
[M+Na-2H]- 355.14999 176.0
[M]+ 334.17477 173.8
[M]- 334.17587 173.8
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.