CID 3059917

1h-purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H9ClN4O
SMILES
COC1=C(C=CC(=C1)Cl)C2=NC3=NC=NC=C3N2
InChI
InChI=1S/C12H9ClN4O/c1-18-10-4-7(13)2-3-8(10)11-16-9-5-14-6-15-12(9)17-11/h2-6H,1H3,(H,14,15,16,17)
InChIKey
PSQYYEXGTMWSBO-UHFFFAOYSA-N
Compound name
8-(4-chloro-2-methoxyphenyl)-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

260.04648 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05376 154.7
[M+Na]+ 283.03570 172.0
[M+NH4]+ 278.08030 162.7
[M+K]+ 299.00964 165.8
[M-H]- 259.03920 157.1
[M+Na-2H]- 281.02115 163.7
[M]+ 260.04593 158.2
[M]- 260.04703 158.2
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