CID 19586119

1,3-dimethyl-6-(naphthalen-2-yl)-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C19H14F3N3
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3=CC4=CC=CC=C4C=C3)C(F)(F)F)C
InChI
InChI=1S/C19H14F3N3/c1-11-17-15(19(20,21)22)10-16(23-18(17)25(2)24-11)14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,1-2H3
InChIKey
XUIXFDMGTLLTMN-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.11398 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12126 178.7
[M+Na]+ 364.10320 192.6
[M+NH4]+ 359.14780 184.8
[M+K]+ 380.07714 186.4
[M-H]- 340.10670 178.3
[M+Na-2H]- 362.08865 184.8
[M]+ 341.11343 180.6
[M]- 341.11453 180.6
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.