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[5,4-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]+ 279.019876 158.0
[M+Na]+ 301.001818 172.3
[M-H]- 277.005324 160.4
[M+NH4]+ 296.046423 173.1
[M+K]+ 316.975758 164.7
[M+H-H2O]+ 261.009860 148.4
[M+HCOO]- 323.010801 169.2
[M+CH3COO]- 337.026451 170.2
[M+Na-2H]- 298.987266 163.4
[M]+ 278.01205142 163.5
[M]- 278.01314858 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.