CID 1342347

3-methyl-1,6-diphenyl-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C20H14F3N3
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C20H14F3N3/c1-13-18-16(20(21,22)23)12-17(14-8-4-2-5-9-14)24-19(18)26(25-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey
IBADOCAZPIUTNY-UHFFFAOYSA-N
Compound name
3-methyl-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

353.11398 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12126 183.3
[M+Na]+ 376.10320 195.3
[M-H]- 352.10670 187.3
[M+NH4]+ 371.14780 195.0
[M+K]+ 392.07714 186.6
[M+H-H2O]+ 336.11124 170.0
[M+HCOO]- 398.11218 199.7
[M+CH3COO]- 412.12783 193.4
[M+Na-2H]- 374.08865 187.1
[M]+ 353.11343 182.1
[M]- 353.11453 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe