CID 214919

34580-76-2

Structural Information

Molecular Formula
C14H10F3N3O
SMILES
COC1=NN(C2=C1C=CC=N2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C14H10F3N3O/c1-21-13-11-6-3-7-18-12(11)20(19-13)10-5-2-4-9(8-10)14(15,16)17/h2-8H,1H3
InChIKey
DXCSAORYPUTKOU-UHFFFAOYSA-N
Compound name
3-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0776 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08488 163.2
[M+Na]+ 316.06682 175.5
[M-H]- 292.07032 164.2
[M+NH4]+ 311.11142 177.7
[M+K]+ 332.04076 169.7
[M+H-H2O]+ 276.07486 151.6
[M+HCOO]- 338.07580 180.8
[M+CH3COO]- 352.09145 174.7
[M+Na-2H]- 314.05227 169.0
[M]+ 293.07705 163.5
[M]- 293.07815 163.5
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.