CID 448724

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

Structural Information

Molecular Formula
C18H22ClNO2
SMILES
CCCC1=C(C2=C(C=CC(=C2)Cl)NC1=O)OC3CCCCC3
InChI
InChI=1S/C18H22ClNO2/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)
InChIKey
BNZHKKGOSYAQSW-UHFFFAOYSA-N
Compound name
6-chloro-4-cyclohexyloxy-3-propyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

319.1339 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14118 174.3
[M+Na]+ 342.12312 181.6
[M-H]- 318.12662 178.2
[M+NH4]+ 337.16772 188.6
[M+K]+ 358.09706 174.6
[M+H-H2O]+ 302.13116 166.2
[M+HCOO]- 364.13210 185.8
[M+CH3COO]- 378.14775 184.0
[M+Na-2H]- 340.10857 176.4
[M]+ 319.13335 173.7
[M]- 319.13445 173.7
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