CID 16072869

Chembl209591

Structural Information

Molecular Formula
C17H13FN2O2
SMILES
C1=CC2=C(C(=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)O)N=C1
InChI
InChI=1S/C17H13FN2O2/c18-13-6-3-11(4-7-13)10-20-17(22)14-8-5-12-2-1-9-19-15(12)16(14)21/h1-9,21H,10H2,(H,20,22)
InChIKey
CXSATMSLNBALME-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

296.0961 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10338 166.0
[M+Na]+ 319.08532 174.1
[M-H]- 295.08882 169.9
[M+NH4]+ 314.12992 179.8
[M+K]+ 335.05926 168.4
[M+H-H2O]+ 279.09336 156.3
[M+HCOO]- 341.09430 185.8
[M+CH3COO]- 355.10995 176.7
[M+Na-2H]- 317.07077 171.8
[M]+ 296.09555 164.4
[M]- 296.09665 164.4
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