CID 36857

Itf 1032

Structural Information

Molecular Formula
C15H10F3N3O3
SMILES
C1=CC(=CC(=C1)N2C3=C(C=CC=N3)C(=N2)OCC(=O)O)C(F)(F)F
InChI
InChI=1S/C15H10F3N3O3/c16-15(17,18)9-3-1-4-10(7-9)21-13-11(5-2-6-19-13)14(20-21)24-8-12(22)23/h1-7H,8H2,(H,22,23)
InChIKey
OSBPZONQNBPENH-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07468 172.2
[M+Na]+ 360.05662 183.1
[M-H]- 336.06012 172.0
[M+NH4]+ 355.10122 183.8
[M+K]+ 376.03056 177.6
[M+H-H2O]+ 320.06466 160.9
[M+HCOO]- 382.06560 187.6
[M+CH3COO]- 396.08125 205.5
[M+Na-2H]- 358.04207 176.5
[M]+ 337.06685 172.6
[M]- 337.06795 172.6
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.