CID 448729

6-chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1h)-one

Structural Information

Molecular Formula
C18H22ClNO2
SMILES
CC(C)C1=C(C2=C(C=CC(=C2)Cl)NC1=O)OC3CCCCC3
InChI
InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(H,20,21)
InChIKey
OQCFORGSZJSAEL-UHFFFAOYSA-N
Compound name
6-chloro-4-cyclohexyloxy-3-propan-2-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

319.1339 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14118 173.7
[M+Na]+ 342.12312 180.8
[M-H]- 318.12662 177.8
[M+NH4]+ 337.16772 188.0
[M+K]+ 358.09706 174.3
[M+H-H2O]+ 302.13116 166.0
[M+HCOO]- 364.13210 184.3
[M+CH3COO]- 378.14775 205.4
[M+Na-2H]- 340.10857 174.8
[M]+ 319.13335 172.6
[M]- 319.13445 172.6
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.