CID 516416

5-chloro-1-ethyl-6-isobutoxy-3-methyl-2-phenyl-quinolin-4-one

Structural Information

Molecular Formula
C22H24ClNO2
SMILES
CCN1C2=C(C(=C(C=C2)OCC(C)C)Cl)C(=O)C(=C1C3=CC=CC=C3)C
InChI
InChI=1S/C22H24ClNO2/c1-5-24-17-11-12-18(26-13-14(2)3)20(23)19(17)22(25)15(4)21(24)16-9-7-6-8-10-16/h6-12,14H,5,13H2,1-4H3
InChIKey
RDQJZTXHQHTIDW-UHFFFAOYSA-N
Compound name
5-chloro-1-ethyl-3-methyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.14957 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15685 188.3
[M+Na]+ 392.13879 198.8
[M-H]- 368.14229 194.9
[M+NH4]+ 387.18339 202.0
[M+K]+ 408.11273 191.9
[M+H-H2O]+ 352.14683 179.6
[M+HCOO]- 414.14777 203.1
[M+CH3COO]- 428.16342 221.0
[M+Na-2H]- 390.12424 189.1
[M]+ 369.14902 195.4
[M]- 369.15012 195.4
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.