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]+ 326.09422 173.9
[M+Na]+ 348.07616 182.8
[M-H]- 324.07966 180.1
[M+NH4]+ 343.12076 188.5
[M+K]+ 364.05010 176.9
[M+H-H2O]+ 308.08420 165.5
[M+HCOO]- 370.08514 189.0
[M+CH3COO]- 384.10079 185.1
[M+Na-2H]- 346.06161 177.5
[M]+ 325.08639 178.2
[M]- 325.08749 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.