CID 2164249

633315-39-6

Structural Information

Molecular Formula
C13H10F3N3S
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C
InChI
InChI=1S/C13H10F3N3S/c1-7-11-8(13(14,15)16)6-9(10-4-3-5-20-10)17-12(11)19(2)18-7/h3-6H,1-2H3
InChIKey
PKIFDGUOTBDHOQ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

297.05475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06203 162.2
[M+Na]+ 320.04397 176.8
[M-H]- 296.04747 164.6
[M+NH4]+ 315.08857 180.0
[M+K]+ 336.01791 171.0
[M+H-H2O]+ 280.05201 153.2
[M+HCOO]- 342.05295 176.5
[M+CH3COO]- 356.06860 174.8
[M+Na-2H]- 318.02942 162.2
[M]+ 297.05420 165.2
[M]- 297.05530 165.2
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

No patent data available for this compound.