CID 3059912

1h-purine, 8-(2,4-dimethoxyphenyl)-

Structural Information

Molecular Formula
C13H12N4O2
SMILES
COC1=CC(=C(C=C1)C2=NC3=NC=NC=C3N2)OC
InChI
InChI=1S/C13H12N4O2/c1-18-8-3-4-9(11(5-8)19-2)12-16-10-6-14-7-15-13(10)17-12/h3-7H,1-2H3,(H,14,15,16,17)
InChIKey
XOZCJKUFAQFZGZ-UHFFFAOYSA-N
Compound name
8-(2,4-dimethoxyphenyl)-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

256.09604 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10332 156.6
[M+Na]+ 279.08526 168.2
[M-H]- 255.08876 158.9
[M+NH4]+ 274.12986 170.5
[M+K]+ 295.05920 163.1
[M+H-H2O]+ 239.09330 147.0
[M+HCOO]- 301.09424 176.8
[M+CH3COO]- 315.10989 168.7
[M+Na-2H]- 277.07071 163.7
[M]+ 256.09549 160.4
[M]- 256.09659 160.4
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