CID 214905

34580-66-0

Structural Information

Molecular Formula
C16H12F3N3O2
SMILES
CC(=O)COC1=NN(C2=C1C=CC=N2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H12F3N3O2/c1-10(23)9-24-15-13-6-3-7-20-14(13)22(21-15)12-5-2-4-11(8-12)16(17,18)19/h2-8H,9H2,1H3
InChIKey
ASTCNIALLSQLQN-UHFFFAOYSA-N
Compound name
1-[1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]oxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.08817 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09545 174.2
[M+Na]+ 358.07739 185.3
[M-H]- 334.08089 175.1
[M+NH4]+ 353.12199 186.7
[M+K]+ 374.05133 179.7
[M+H-H2O]+ 318.08543 162.4
[M+HCOO]- 380.08637 190.5
[M+CH3COO]- 394.10202 208.7
[M+Na-2H]- 356.06284 178.1
[M]+ 335.08762 175.3
[M]- 335.08872 175.3
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.