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 181.8
[M+Na]+ 386.09115 194.6
[M-H]- 362.09465 191.7
[M+NH4]+ 381.13575 188.3
[M+K]+ 402.06509 187.9
[M+H-H2O]+ 346.09919 172.7
[M+HCOO]- 408.10013 200.7
[M+CH3COO]- 422.11578 192.6
[M+Na-2H]- 384.07660 181.7
[M]+ 363.10138 187.2
[M]- 363.10248 187.2
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.