CID 1930151

Butyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate

Structural Information

Molecular Formula
C21H20ClNO2
SMILES
CCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)C
InChI
InChI=1S/C21H20ClNO2/c1-3-4-11-25-21(24)18-13-20(15-7-5-14(2)6-8-15)23-19-10-9-16(22)12-17(18)19/h5-10,12-13H,3-4,11H2,1-2H3
InChIKey
CLOQYTKSUGPTDI-UHFFFAOYSA-N
Compound name
butyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.11826 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12554 183.7
[M+Na]+ 376.10748 201.1
[M+NH4]+ 371.15208 192.4
[M+K]+ 392.08142 190.9
[M-H]- 352.11098 188.8
[M+Na-2H]- 374.09293 192.4
[M]+ 353.11771 188.2
[M]- 353.11881 188.2
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

No patent data available for this compound.