CID 215610

Chembl2070508

Structural Information

Molecular Formula
C15H20N6O4
SMILES
C1CCC(C1)NC(=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(18-5-17-12)21(6-19-8)15-10(23)9(22)11(25-15)14(24)20-7-3-1-2-4-7/h5-7,9-11,15,22-23H,1-4H2,(H,20,24)(H2,16,17,18)/t9-,10+,11-,15+/m0/s1
InChIKey
ISNMLOJARGEFLK-BQVMBELUSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-cyclopentyl-3,4-dihydroxyoxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

348.1546 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16188 175.2
[M+Na]+ 371.14382 181.4
[M-H]- 347.14732 180.4
[M+NH4]+ 366.18842 185.7
[M+K]+ 387.11776 179.0
[M+H-H2O]+ 331.15186 167.1
[M+HCOO]- 393.15280 190.8
[M+CH3COO]- 407.16845 184.3
[M+Na-2H]- 369.12927 172.6
[M]+ 348.15405 172.7
[M]- 348.15515 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.