CID 24822135

755753-89-0

Structural Information

Molecular Formula
C24H16F2N4
SMILES
CN1C=C2C(=C(C(=NC2=N1)C3=CC=C(C=C3)F)C4=CC=NC=C4)C5=CC=C(C=C5)F
InChI
InChI=1S/C24H16F2N4/c1-30-14-20-21(15-2-6-18(25)7-3-15)22(16-10-12-27-13-11-16)23(28-24(20)29-30)17-4-8-19(26)9-5-17/h2-14H,1H3
InChIKey
VMAKTIDYMSNPOV-UHFFFAOYSA-N
Compound name
4,6-bis(4-fluorophenyl)-2-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

180
Patents

398.1343 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14158 197.3
[M+Na]+ 421.12352 215.9
[M+NH4]+ 416.16812 204.0
[M+K]+ 437.09746 207.2
[M-H]- 397.12702 202.5
[M+Na-2H]- 419.10897 208.6
[M]+ 398.13375 201.7
[M]- 398.13485 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe