CID 215496

35788-34-2

Structural Information

Molecular Formula
C15H20N6O4
SMILES
C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI
InChI=1S/C15H20N6O4/c16-12-8-13(18-6-17-12)21(7-19-8)15-10(23)9(22)11(25-15)14(24)20-4-2-1-3-5-20/h6-7,9-11,15,22-23H,1-5H2,(H2,16,17,18)/t9-,10+,11-,15+/m0/s1
InChIKey
PJUPECUYTWAJGH-BQVMBELUSA-N
Compound name
[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1546 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.161876 179.8
[M+Na]+ 371.143818 186.5
[M-H]- 347.147324 182.7
[M+NH4]+ 366.188423 187.2
[M+K]+ 387.117758 182.9
[M+H-H2O]+ 331.151860 170.1
[M+HCOO]- 393.152801 190.5
[M+CH3COO]- 407.168451 187.7
[M+Na-2H]- 369.129266 177.3
[M]+ 348.15405142 175.9
[M]- 348.15514858 175.9
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.