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 174.1
[M+Na]+ 358.07739 185.0
[M+NH4]+ 353.12199 178.1
[M+K]+ 374.05133 181.3
[M-H]- 334.08089 171.3
[M+Na-2H]- 356.06284 179.1
[M]+ 335.08762 174.6
[M]- 335.08872 174.6
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.