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[5,4-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]+ 292.105606 165.1
[M+Na]+ 314.087548 178.1
[M-H]- 290.091054 166.3
[M+NH4]+ 309.132153 180.1
[M+K]+ 330.061488 171.4
[M+H-H2O]+ 274.095590 153.8
[M+HCOO]- 336.096531 182.1
[M+CH3COO]- 350.112181 176.7
[M+Na-2H]- 312.072996 169.6
[M]+ 291.09778142 164.8
[M]- 291.09887858 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.