CID 164179

124532-14-5

Structural Information

Molecular Formula
C19H16ClFN2O
SMILES
CC(=O)N(CCC1=CC=C(C=C1)Cl)C2=C3C=CC=C(C3=NC=C2)F
InChI
InChI=1S/C19H16ClFN2O/c1-13(24)23(12-10-14-5-7-15(20)8-6-14)18-9-11-22-19-16(18)3-2-4-17(19)21/h2-9,11H,10,12H2,1H3
InChIKey
TYQLBTDDLCYBDZ-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

342.0935 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10078 178.3
[M+Na]+ 365.08272 186.9
[M-H]- 341.08622 184.2
[M+NH4]+ 360.12732 192.4
[M+K]+ 381.05666 180.6
[M+H-H2O]+ 325.09076 168.3
[M+HCOO]- 387.09170 194.6
[M+CH3COO]- 401.10735 216.6
[M+Na-2H]- 363.06817 182.0
[M]+ 342.09295 181.3
[M]- 342.09405 181.3
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