CID 6448087

6-(3-(4-(4-chlorophenyl)-1-piperazinyl)-1-propenyl)-3,4-dihydrocarbostyril

Structural Information

Molecular Formula
C22H24ClN3O
SMILES
C1CC(=O)NC2=C1C=C(C=C2)/C=C/CN3CCN(CC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H24ClN3O/c23-19-5-7-20(8-6-19)26-14-12-25(13-15-26)11-1-2-17-3-9-21-18(16-17)4-10-22(27)24-21/h1-3,5-9,16H,4,10-15H2,(H,24,27)/b2-1+
InChIKey
WVEOURZSZRGEEN-OWOJBTEDSA-N
Compound name
6-[(E)-3-[4-(4-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

6
Patents

381.1608 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16808 194.9
[M+Na]+ 404.15002 199.9
[M-H]- 380.15352 197.8
[M+NH4]+ 399.19462 202.8
[M+K]+ 420.12396 190.3
[M+H-H2O]+ 364.15806 182.7
[M+HCOO]- 426.15900 200.4
[M+CH3COO]- 440.17465 201.0
[M+Na-2H]- 402.13547 194.9
[M]+ 381.16025 188.7
[M]- 381.16135 188.7
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

patents stripe