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

11
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.