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

12
Patents

377.21033 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.217606 194.3
[M+Na]+ 400.199548 196.5
[M-H]- 376.203054 197.0
[M+NH4]+ 395.244153 200.8
[M+K]+ 416.173488 189.2
[M+H-H2O]+ 360.207590 181.6
[M+HCOO]- 422.208531 203.2
[M+CH3COO]- 436.224181 199.8
[M+Na-2H]- 398.184996 194.2
[M]+ 377.20978142 186.6
[M]- 377.21087858 186.6
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