CID 215610

35920-40-2

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]+ 349.161876 175.2
[M+Na]+ 371.143818 181.4
[M-H]- 347.147324 180.4
[M+NH4]+ 366.188423 185.7
[M+K]+ 387.117758 179.0
[M+H-H2O]+ 331.151860 167.1
[M+HCOO]- 393.152801 190.8
[M+CH3COO]- 407.168451 184.3
[M+Na-2H]- 369.129266 172.6
[M]+ 348.15405142 172.7
[M]- 348.15514858 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.