CID 6448082

80834-55-5

Structural Information

Molecular Formula

C₂₂H₂₄ClN₃O

SMILES

C1CC(=O)NC2=C1C=C(C=C2)/C=C/CN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H24ClN3O/c23-19-4-1-5-20(16-19)26-13-11-25(12-14-26)10-2-3-17-6-8-21-18(15-17)7-9-22(27)24-21/h1-6,8,15-16H,7,9-14H2,(H,24,27)/b3-2+

InChIKey

OINBUEIJCDYAKA-NSCUHMNNSA-N

Compound name

6-[(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 381.1608 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	382.168076	194.9
[M+Na]+	404.150018	199.9
[M-H]-	380.153524	197.8
[M+NH4]+	399.194623	202.8
[M+K]+	420.123958	190.3
[M+H-H2O]+	364.158060	182.7
[M+HCOO]-	426.159001	200.4
[M+CH3COO]-	440.174651	201.0
[M+Na-2H]-	402.135466	194.9
[M]+	381.16025142	188.7
[M]-	381.16134858	188.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe