CID 2737175

174842-35-4

Structural Information

Molecular Formula
C17H16FN3O3
SMILES
CCOC(=O)C1=CN=C2C(=C1OC3=CC=C(C=C3)F)C(=NN2C)C
InChI
InChI=1S/C17H16FN3O3/c1-4-23-17(22)13-9-19-16-14(10(2)20-21(16)3)15(13)24-12-7-5-11(18)6-8-12/h5-9H,4H2,1-3H3
InChIKey
FOQKYRVPJNXAAV-UHFFFAOYSA-N
Compound name
ethyl 4-(4-fluorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11758 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12486 175.5
[M+Na]+ 352.10680 187.3
[M-H]- 328.11030 179.3
[M+NH4]+ 347.15140 188.8
[M+K]+ 368.08074 182.6
[M+H-H2O]+ 312.11484 165.1
[M+HCOO]- 374.11578 195.4
[M+CH3COO]- 388.13143 210.4
[M+Na-2H]- 350.09225 177.7
[M]+ 329.11703 181.8
[M]- 329.11813 181.8
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.