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

7
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 166.6
[M+Na]+ 323.07217 176.1
[M-H]- 299.07567 171.2
[M+NH4]+ 318.11677 182.0
[M+K]+ 339.04611 168.3
[M+H-H2O]+ 283.08021 157.2
[M+HCOO]- 345.08115 183.6
[M+CH3COO]- 359.09680 177.8
[M+Na-2H]- 321.05762 173.3
[M]+ 300.08240 167.6
[M]- 300.08350 167.6
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