CID 3082555

Selodenoson

Structural Information

Molecular Formula
C17H24N6O4
SMILES
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC4CCCC4)O)O
InChI
InChI=1S/C17H24N6O4/c1-2-18-16(26)13-11(24)12(25)17(27-13)23-8-21-10-14(19-7-20-15(10)23)22-9-5-3-4-6-9/h7-9,11-13,17,24-25H,2-6H2,1H3,(H,18,26)(H,19,20,22)/t11-,12+,13-,17+/m0/s1
InChIKey
GWVQGVCXFNYGFP-PFHKOEEOSA-N
Compound name
(2S,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

103
Patents

376.1859 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19318 185.8
[M+Na]+ 399.17512 192.7
[M+NH4]+ 394.21972 189.5
[M+K]+ 415.14906 196.4
[M-H]- 375.17862 188.2
[M+Na-2H]- 397.16057 187.1
[M]+ 376.18535 186.7
[M]- 376.18645 186.7
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

patents stripe