CID 9910098

Sonedenoson

Structural Information

Molecular Formula
C18H20ClN5O5
SMILES
C1=CC(=CC=C1CCOC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl
InChI
InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
InChIKey
WUCQGGOGHZRELS-LSCFUAHRSA-N
Compound name
(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-chlorophenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

160
Patents

421.1153 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12258 197.1
[M+Na]+ 444.10452 209.4
[M+NH4]+ 439.14912 201.1
[M+K]+ 460.07846 209.1
[M-H]- 420.10802 200.0
[M+Na-2H]- 442.08997 199.8
[M]+ 421.11475 199.6
[M]- 421.11585 199.6
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