CID 25247527

1011398-56-3

Structural Information

Molecular Formula
C20H14FN3O3
SMILES
C1CC1C2=NN(C3=C2C(=CC(=N3)C4=CC=CO4)C(=O)O)C5=CC=C(C=C5)F
InChI
InChI=1S/C20H14FN3O3/c21-12-5-7-13(8-6-12)24-19-17(18(23-24)11-3-4-11)14(20(25)26)10-15(22-19)16-2-1-9-27-16/h1-2,5-11H,3-4H2,(H,25,26)
InChIKey
QCZOIKZFOPBCNO-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.10193 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10921 189.9
[M+Na]+ 386.09115 205.9
[M+NH4]+ 381.13575 196.6
[M+K]+ 402.06509 204.0
[M-H]- 362.09465 201.4
[M+Na-2H]- 384.07660 199.0
[M]+ 363.10138 196.6
[M]- 363.10248 196.6
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.