CID 43332325

4-chloro-1-(3-chlorophenyl)-6-methyl-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C12H8Cl2N4
SMILES
CC1=NC2=C(C=NN2C3=CC(=CC=C3)Cl)C(=N1)Cl
InChI
InChI=1S/C12H8Cl2N4/c1-7-16-11(14)10-6-15-18(12(10)17-7)9-4-2-3-8(13)5-9/h2-6H,1H3
InChIKey
KMFDGVHYBNQJTF-UHFFFAOYSA-N
Compound name
4-chloro-1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0126 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.01988 158.0
[M+Na]+ 301.00182 172.3
[M-H]- 277.00532 160.4
[M+NH4]+ 296.04642 173.1
[M+K]+ 316.97576 164.7
[M+H-H2O]+ 261.00986 148.4
[M+HCOO]- 323.01080 169.2
[M+CH3COO]- 337.02645 170.2
[M+Na-2H]- 298.98727 163.4
[M]+ 278.01205 163.5
[M]- 278.01315 163.5
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

No patent data available for this compound.