CID 2895892

Chembl3112900

Structural Information

Molecular Formula
C22H18FN3O
SMILES
CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=C(C=C3)F)NC4=CC=CC=N4
InChI
InChI=1S/C22H18FN3O/c1-14-5-6-16-9-12-18(22(27)21(16)25-14)20(15-7-10-17(23)11-8-15)26-19-4-2-3-13-24-19/h2-13,20,27H,1H3,(H,24,26)
InChIKey
LFYIPVBMUBBSDE-UHFFFAOYSA-N
Compound name
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

359.1434 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15068 186.1
[M+Na]+ 382.13262 193.8
[M-H]- 358.13612 191.5
[M+NH4]+ 377.17722 195.5
[M+K]+ 398.10656 185.9
[M+H-H2O]+ 342.14066 173.9
[M+HCOO]- 404.14160 203.4
[M+CH3COO]- 418.15725 194.9
[M+Na-2H]- 380.11807 191.0
[M]+ 359.14285 183.7
[M]- 359.14395 183.7
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