CID 214917

Itf 1026

Structural Information

Molecular Formula
C15H12F3N3O2
SMILES
C1=CC(=CC(=C1)N2C3=C(C=CC=N3)C(=N2)OCCO)C(F)(F)F
InChI
InChI=1S/C15H12F3N3O2/c16-15(17,18)10-3-1-4-11(9-10)21-13-12(5-2-6-19-13)14(20-21)23-8-7-22/h1-6,9,22H,7-8H2
InChIKey
IOLVNDULVQTBBV-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.08817 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.09545 170.7
[M+Na]+ 346.07739 181.9
[M-H]- 322.08089 170.2
[M+NH4]+ 341.12199 183.1
[M+K]+ 362.05133 175.7
[M+H-H2O]+ 306.08543 159.1
[M+HCOO]- 368.08637 186.6
[M+CH3COO]- 382.10202 203.2
[M+Na-2H]- 344.06284 175.8
[M]+ 323.08762 170.9
[M]- 323.08872 170.9
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.