CID 3059914

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

Structural Information

Molecular Formula
C15H16N4O2S
SMILES
COC1=CC(=C(C=C1)C2=NC3=NC=NC=C3N2)OCCSC
InChI
InChI=1S/C15H16N4O2S/c1-20-10-3-4-11(13(7-10)21-5-6-22-2)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
QSYDRXMCAAEVHG-UHFFFAOYSA-N
Compound name
8-[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

316.0994 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10668 171.9
[M+Na]+ 339.08862 186.8
[M+NH4]+ 334.13322 178.9
[M+K]+ 355.06256 179.2
[M-H]- 315.09212 174.0
[M+Na-2H]- 337.07407 178.8
[M]+ 316.09885 175.1
[M]- 316.09995 175.1
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