CID 25247535

1011396-68-1

Structural Information

Molecular Formula
C22H15F2N3O2
SMILES
C1CC1C2=NN(C3=C2C(=CC(=N3)C4=CC=C(C=C4)F)C(=O)O)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H15F2N3O2/c23-14-5-3-12(4-6-14)18-11-17(22(28)29)19-20(13-1-2-13)26-27(21(19)25-18)16-9-7-15(24)8-10-16/h3-11,13H,1-2H2,(H,28,29)
InChIKey
NTBFYDUCZRZGFQ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1,6-bis(4-fluorophenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.11322 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12050 198.1
[M+Na]+ 414.10244 213.9
[M+NH4]+ 409.14704 204.2
[M+K]+ 430.07638 209.0
[M-H]- 390.10594 207.5
[M+Na-2H]- 412.08789 207.7
[M]+ 391.11267 204.0
[M]- 391.11377 204.0
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.