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

literature stripe

Patent stripe

patents stripe