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 191.6
[M+Na]+ 414.10244 204.3
[M-H]- 390.10594 198.9
[M+NH4]+ 409.14704 196.4
[M+K]+ 430.07638 194.7
[M+H-H2O]+ 374.11048 179.8
[M+HCOO]- 436.11142 208.8
[M+CH3COO]- 450.12707 200.8
[M+Na-2H]- 412.08789 191.5
[M]+ 391.11267 193.9
[M]- 391.11377 193.9
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.