CID 1213114

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

Structural Information

Molecular Formula
C21H20ClNO3
SMILES
CC(C)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H20ClNO3/c1-13(2)12-26-21(24)18-11-20(14-4-7-16(25-3)8-5-14)23-19-9-6-15(22)10-17(18)19/h4-11,13H,12H2,1-3H3
InChIKey
HTHPLRKXPJTRGK-UHFFFAOYSA-N
Compound name
2-methylpropyl 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 186.0
[M+Na]+ 392.10238 194.8
[M-H]- 368.10588 192.3
[M+NH4]+ 387.14698 199.0
[M+K]+ 408.07632 189.3
[M+H-H2O]+ 352.11042 177.2
[M+HCOO]- 414.11136 200.5
[M+CH3COO]- 428.12701 217.8
[M+Na-2H]- 390.08783 187.9
[M]+ 369.11261 192.8
[M]- 369.11371 192.8
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.