CID 19586119

834896-24-1

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 181.9
[M+Na]+ 364.10320 195.3
[M-H]- 340.10670 184.1
[M+NH4]+ 359.14780 195.8
[M+K]+ 380.07714 186.9
[M+H-H2O]+ 324.11124 169.7
[M+HCOO]- 386.11218 197.1
[M+CH3COO]- 400.12783 192.5
[M+Na-2H]- 362.08865 186.0
[M]+ 341.11343 182.1
[M]- 341.11453 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.