CID 215496

Brn 0587968

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]+ 349.16188 179.8
[M+Na]+ 371.14382 186.5
[M-H]- 347.14732 182.7
[M+NH4]+ 366.18842 187.2
[M+K]+ 387.11776 182.9
[M+H-H2O]+ 331.15186 170.1
[M+HCOO]- 393.15280 190.5
[M+CH3COO]- 407.16845 187.7
[M+Na-2H]- 369.12927 177.3
[M]+ 348.15405 175.9
[M]- 348.15515 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.