CID 1739368

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

Structural Information

Molecular Formula
C21H20ClNO3
SMILES
CCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H20ClNO3/c1-3-4-11-26-21(24)18-13-20(14-5-8-16(25-2)9-6-14)23-19-10-7-15(22)12-17(18)19/h5-10,12-13H,3-4,11H2,1-2H3
InChIKey
KGDIYWQGQVLFDM-UHFFFAOYSA-N
Compound name
butyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.11316 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12044 186.6
[M+Na]+ 392.10238 203.5
[M+NH4]+ 387.14698 194.7
[M+K]+ 408.07632 193.9
[M-H]- 368.10588 191.2
[M+Na-2H]- 390.08783 194.8
[M]+ 369.11261 190.8
[M]- 369.11371 190.8
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.