CID 3067077

2(1h)-quinolinone, 3,4-dihydro-6-(4-(4-(2-chlorophenyl)-1-piperazinyl)-1-oxobutyl)-, hydrochloride, hydrate (1:1:1)

Structural Information

Molecular Formula
C23H26ClN3O2
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCCN3CCN(CC3)C4=CC=CC=C4Cl
InChI
InChI=1S/C23H26ClN3O2/c24-19-4-1-2-5-21(19)27-14-12-26(13-15-27)11-3-6-22(28)18-7-9-20-17(16-18)8-10-23(29)25-20/h1-2,4-5,7,9,16H,3,6,8,10-15H2,(H,25,29)
InChIKey
MGWANDWMSKYXKT-UHFFFAOYSA-N
Compound name
6-[4-[4-(2-chlorophenyl)piperazin-1-yl]butanoyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

411.17136 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17864 200.5
[M+Na]+ 434.16058 204.4
[M-H]- 410.16408 203.3
[M+NH4]+ 429.20518 206.9
[M+K]+ 450.13452 195.9
[M+H-H2O]+ 394.16862 188.2
[M+HCOO]- 456.16956 204.8
[M+CH3COO]- 470.18521 205.9
[M+Na-2H]- 432.14603 199.2
[M]+ 411.17081 195.6
[M]- 411.17191 195.6
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