CID 91353736

4,6-dichloro-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C8H7Cl2N3
SMILES
CC1=NN(C2=C1C(=CC(=N2)Cl)Cl)C
InChI
InChI=1S/C8H7Cl2N3/c1-4-7-5(9)3-6(10)11-8(7)13(2)12-4/h3H,1-2H3
InChIKey
CAYCBZPKHZCRTI-UHFFFAOYSA-N
Compound name
4,6-dichloro-1,3-dimethylpyrazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

215.00171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.008986 140.6
[M+Na]+ 237.990928 155.4
[M-H]- 213.994434 141.5
[M+NH4]+ 233.035533 160.2
[M+K]+ 253.964868 149.6
[M+H-H2O]+ 197.998970 134.0
[M+HCOO]- 259.999911 153.3
[M+CH3COO]- 274.015561 154.5
[M+Na-2H]- 235.976376 146.2
[M]+ 215.00116142 146.5
[M]- 215.00225858 146.5
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

patents stripe