CID 447725

1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2(1h)-one

Structural Information

Molecular Formula
C26H22Cl2F2N2O
SMILES
C1CNCCC1C2=CC(=C3CCC(=O)N(C3=C2)C4=C(C=CC=C4Cl)Cl)C5=C(C=C(C=C5)F)F
InChI
InChI=1S/C26H22Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,12-15,31H,6-11H2
InChIKey
VXIYTVJEIXMAQF-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

486.10773 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.11501 217.0
[M+Na]+ 509.09695 225.1
[M-H]- 485.10045 221.7
[M+NH4]+ 504.14155 222.8
[M+K]+ 525.07089 213.9
[M+H-H2O]+ 469.10499 202.7
[M+HCOO]- 531.10593 216.3
[M+CH3COO]- 545.12158 222.1
[M+Na-2H]- 507.08240 212.1
[M]+ 486.10718 211.6
[M]- 486.10828 211.6
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