CID 885519

355432-97-2

Structural Information

Molecular Formula
C20H18ClNO2
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OC(C)C
InChI
InChI=1S/C20H18ClNO2/c1-12(2)24-20(23)17-11-19(14-6-4-13(3)5-7-14)22-18-9-8-15(21)10-16(17)18/h4-12H,1-3H3
InChIKey
IHOUTDXCSJEHOI-UHFFFAOYSA-N
Compound name
propan-2-yl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1026 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10988 178.5
[M+Na]+ 362.09182 195.8
[M+NH4]+ 357.13642 187.3
[M+K]+ 378.06576 186.7
[M-H]- 338.09532 183.5
[M+Na-2H]- 360.07727 187.2
[M]+ 339.10205 183.0
[M]- 339.10315 183.0
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.