CID 1217108

Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C21H20ClNO2
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(C)C
InChI
InChI=1S/C21H20ClNO2/c1-13(2)12-25-21(24)18-11-20(15-6-4-14(3)5-7-15)23-19-9-8-16(22)10-17(18)19/h4-11,13H,12H2,1-3H3
InChIKey
QIRVSYCGRKFUAR-UHFFFAOYSA-N
Compound name
2-methylpropyl 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

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12554 183.1
[M+Na]+ 376.10748 200.2
[M+NH4]+ 371.15208 191.7
[M+K]+ 392.08142 190.9
[M-H]- 352.11098 188.1
[M+Na-2H]- 374.09293 191.5
[M]+ 353.11771 187.5
[M]- 353.11881 187.5
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.