CID 135145482

8-fluoro-4-(pyridin-3-yl)-6-{1h-pyrrolo[2,3-b]pyridin-3-yl}quinoline

Structural Information

Molecular Formula
C21H13FN4
SMILES
C1=CC(=CN=C1)C2=C3C=C(C=C(C3=NC=C2)F)C4=CNC5=C4C=CC=N5
InChI
InChI=1S/C21H13FN4/c22-19-10-14(18-12-26-21-16(18)4-2-7-25-21)9-17-15(5-8-24-20(17)19)13-3-1-6-23-11-13/h1-12H,(H,25,26)
InChIKey
UZKNEKQQAVXEOR-UHFFFAOYSA-N
Compound name
8-fluoro-4-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

340.11243 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11971 180.7
[M+Na]+ 363.10165 192.4
[M-H]- 339.10515 185.3
[M+NH4]+ 358.14625 191.3
[M+K]+ 379.07559 182.1
[M+H-H2O]+ 323.10969 167.9
[M+HCOO]- 385.11063 197.2
[M+CH3COO]- 399.12628 190.4
[M+Na-2H]- 361.08710 186.8
[M]+ 340.11188 179.8
[M]- 340.11298 179.8
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

patents stripe