CID 214915

Itf 1022

Structural Information

Molecular Formula
C17H17F3N4O
SMILES
CN(C)CCOC1=NN(C2=C1C=CC=N2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H17F3N4O/c1-23(2)9-10-25-16-14-7-4-8-21-15(14)24(22-16)13-6-3-5-12(11-13)17(18,19)20/h3-8,11H,9-10H2,1-2H3
InChIKey
OZNCYMOYAKJQBF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13544 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14272 177.0
[M+Na]+ 373.12466 187.5
[M+NH4]+ 368.16926 181.5
[M+K]+ 389.09860 183.4
[M-H]- 349.12816 175.5
[M+Na-2H]- 371.11011 182.6
[M]+ 350.13489 177.8
[M]- 350.13599 177.8
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.