CID 7026292

6-(furan-2-yl)-3-methyl-1-phenyl-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C18H12F3N3O
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C18H12F3N3O/c1-11-16-13(18(19,20)21)10-14(15-8-5-9-25-15)22-17(16)24(23-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKey
AVQMAJVGWVMHGE-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.09326 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10054 178.3
[M+Na]+ 366.08248 191.2
[M+NH4]+ 361.12708 183.6
[M+K]+ 382.05642 188.0
[M-H]- 342.08598 179.3
[M+Na-2H]- 364.06793 184.7
[M]+ 343.09271 180.4
[M]- 343.09381 180.4
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.