CID 3059915

8-(4-methoxy-2-(2-(methylsulfinyl)ethoxy)phenyl)-1h-purine

Structural Information

Molecular Formula
C15H16N4O3S
SMILES
COC1=CC(=C(C=C1)C2=NC3=NC=NC=C3N2)OCCS(=O)C
InChI
InChI=1S/C15H16N4O3S/c1-21-10-3-4-11(13(7-10)22-5-6-23(2)20)14-18-12-8-16-9-17-15(12)19-14/h3-4,7-9H,5-6H2,1-2H3,(H,16,17,18,19)
InChIKey
XAOQTHAWOFRJKI-UHFFFAOYSA-N
Compound name
8-[4-methoxy-2-(2-methylsulfinylethoxy)phenyl]-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

332.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10158 174.5
[M+Na]+ 355.08352 188.5
[M+NH4]+ 350.12812 180.5
[M+K]+ 371.05746 182.3
[M-H]- 331.08702 175.7
[M+Na-2H]- 353.06897 180.6
[M]+ 332.09375 177.2
[M]- 332.09485 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe