CID 19586148

1,3-dimethyl-6-phenyl-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C15H12F3N3
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C
InChI
InChI=1S/C15H12F3N3/c1-9-13-11(15(16,17)18)8-12(10-6-4-3-5-7-10)19-14(13)21(2)20-9/h3-8H,1-2H3
InChIKey
AKVDOZHRGXLZCR-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09833 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10561 165.1
[M+Na]+ 314.08755 178.1
[M-H]- 290.09105 166.3
[M+NH4]+ 309.13215 180.1
[M+K]+ 330.06149 171.4
[M+H-H2O]+ 274.09559 153.8
[M+HCOO]- 336.09653 182.1
[M+CH3COO]- 350.11218 176.7
[M+Na-2H]- 312.07300 169.6
[M]+ 291.09778 164.8
[M]- 291.09888 164.8
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.