CID 22309606

2-chloro-6-(4-methoxyphenyl)-9h-purine

Structural Information

Molecular Formula
C12H9ClN4O
SMILES
COC1=CC=C(C=C1)C2=C3C(=NC(=N2)Cl)N=CN3
InChI
InChI=1S/C12H9ClN4O/c1-18-8-4-2-7(3-5-8)9-10-11(15-6-14-10)17-12(13)16-9/h2-6H,1H3,(H,14,15,16,17)
InChIKey
GNHACDOTQKVWAU-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-methoxyphenyl)-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.04648 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05376 154.7
[M+Na]+ 283.03570 167.5
[M-H]- 259.03920 156.6
[M+NH4]+ 278.08030 169.3
[M+K]+ 299.00964 160.6
[M+H-H2O]+ 243.04374 145.4
[M+HCOO]- 305.04468 170.2
[M+CH3COO]- 319.06033 166.9
[M+Na-2H]- 281.02115 161.7
[M]+ 260.04593 158.7
[M]- 260.04703 158.7
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