CID 17025878

832746-74-4

Structural Information

Molecular Formula
C24H16F3N3
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3=CC4=CC=CC=C4C=C3)C(F)(F)F)C5=CC=CC=C5
InChI
InChI=1S/C24H16F3N3/c1-15-22-20(24(25,26)27)14-21(18-12-11-16-7-5-6-8-17(16)13-18)28-23(22)30(29-15)19-9-3-2-4-10-19/h2-14H,1H3
InChIKey
IQAILQKYYDGNBG-UHFFFAOYSA-N
Compound name
3-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.12964 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.13692 194.7
[M+Na]+ 426.11886 210.2
[M+NH4]+ 421.16346 201.0
[M+K]+ 442.09280 202.5
[M-H]- 402.12236 196.8
[M+Na-2H]- 424.10431 203.1
[M]+ 403.12909 197.7
[M]- 403.13019 197.7
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.