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 180.1
[M+Na]+ 373.12466 190.2
[M-H]- 349.12816 182.0
[M+NH4]+ 368.16926 192.5
[M+K]+ 389.09860 185.0
[M+H-H2O]+ 333.13270 167.4
[M+HCOO]- 395.13364 198.2
[M+CH3COO]- 409.14929 217.7
[M+Na-2H]- 371.11011 184.4
[M]+ 350.13489 182.0
[M]- 350.13599 182.0
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.