CID 9841284

N6-cyclohexyladenosine

Structural Information

Molecular Formula
C16H23N5O4
SMILES
C1CCC(CC1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
InChIKey
SZBULDQSDUXAPJ-XNIJJKJLSA-N
Compound name
(2R,3R,4S,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

594
References

741
Patents

349.17502 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18230 181.4
[M+Na]+ 372.16424 190.5
[M+NH4]+ 367.20884 185.9
[M+K]+ 388.13818 191.1
[M-H]- 348.16774 183.9
[M+Na-2H]- 370.14969 183.3
[M]+ 349.17447 182.8
[M]- 349.17557 182.8
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

patents stripe