CID 1712553

2,6-dichloro-9-methyl-9h-purine

Structural Information

Molecular Formula
C6H4Cl2N4
SMILES
CN1C=NC2=C1N=C(N=C2Cl)Cl
InChI
InChI=1S/C6H4Cl2N4/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3
InChIKey
HWMJNDVUIMQFEW-UHFFFAOYSA-N
Compound name
2,6-dichloro-9-methylpurine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

378
Patents

201.98131 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98859 135.5
[M+Na]+ 224.97053 150.1
[M-H]- 200.97403 134.8
[M+NH4]+ 220.01513 153.9
[M+K]+ 240.94447 144.8
[M+H-H2O]+ 184.97857 127.8
[M+HCOO]- 246.97951 147.4
[M+CH3COO]- 260.99516 149.1
[M+Na-2H]- 222.95598 142.7
[M]+ 201.98076 140.6
[M]- 201.98186 140.6
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