CID 214916

34580-73-9

Structural Information

Molecular Formula
C16H14F3N3O2
SMILES
C1=CC(=CC(=C1)N2C3=C(C=CC=N3)C(=N2)OCCCO)C(F)(F)F
InChI
InChI=1S/C16H14F3N3O2/c17-16(18,19)11-4-1-5-12(10-11)22-14-13(6-2-7-20-14)15(21-22)24-9-3-8-23/h1-2,4-7,10,23H,3,8-9H2
InChIKey
CKSQKNFCWOAKOE-UHFFFAOYSA-N
Compound name
3-[1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]oxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.10382 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11110 175.3
[M+Na]+ 360.09304 186.0
[M-H]- 336.09654 174.6
[M+NH4]+ 355.13764 187.1
[M+K]+ 376.06698 179.6
[M+H-H2O]+ 320.10108 163.5
[M+HCOO]- 382.10202 190.9
[M+CH3COO]- 396.11767 206.2
[M+Na-2H]- 358.07849 179.8
[M]+ 337.10327 175.8
[M]- 337.10437 175.8
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.