CID 164180

N-(2-(4-chlorophenyl)ethyl)-8-fluoro-4-quinolinamine

Structural Information

Molecular Formula
C17H14ClFN2
SMILES
C1=CC2=C(C=CN=C2C(=C1)F)NCCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H14ClFN2/c18-13-6-4-12(5-7-13)8-10-20-16-9-11-21-17-14(16)2-1-3-15(17)19/h1-7,9,11H,8,10H2,(H,20,21)
InChIKey
HTUPPKIMLWVIMW-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

300.08295 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09023 166.7
[M+Na]+ 323.07217 183.4
[M+NH4]+ 318.11677 176.2
[M+K]+ 339.04611 172.8
[M-H]- 299.07567 171.9
[M+Na-2H]- 321.05762 176.8
[M]+ 300.08240 171.0
[M]- 300.08350 171.0
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