CID 698744

Isopropyl 2-(4-chlorophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C19H16ClNO2
SMILES
CC(C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClNO2/c1-12(2)23-19(22)16-11-18(13-7-9-14(20)10-8-13)21-17-6-4-3-5-15(16)17/h3-12H,1-2H3
InChIKey
VQFNGEZVFCPUHL-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.08694 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.094216 173.9
[M+Na]+ 348.076158 182.8
[M-H]- 324.079664 180.1
[M+NH4]+ 343.120763 188.5
[M+K]+ 364.050098 176.9
[M+H-H2O]+ 308.084200 165.5
[M+HCOO]- 370.085141 189.0
[M+CH3COO]- 384.100791 185.1
[M+Na-2H]- 346.061606 177.5
[M]+ 325.08639142 178.2
[M]- 325.08748858 178.2
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.