CID 3067075

2(1h)-quinolinone, 3,4-dihydro-6-(1-oxo-4-(4-phenyl-1-piperazinyl)butyl)-, monohydrochloride

Structural Information

Molecular Formula
C23H27N3O2
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O2/c27-22(19-8-10-21-18(17-19)9-11-23(28)24-21)7-4-12-25-13-15-26(16-14-25)20-5-2-1-3-6-20/h1-3,5-6,8,10,17H,4,7,9,11-16H2,(H,24,28)
InChIKey
SOCYUVIDEAHLSD-UHFFFAOYSA-N
Compound name
6-[4-(4-phenylpiperazin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

377.21033 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 195.0
[M+Na]+ 400.19955 208.0
[M+NH4]+ 395.24415 201.6
[M+K]+ 416.17349 199.6
[M-H]- 376.20305 199.3
[M+Na-2H]- 398.18500 201.2
[M]+ 377.20978 197.9
[M]- 377.21088 197.9
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

patents stripe