CID 3067082

2(1h)-quinolinone, 3,4-dihydro-6-(3-(4-(3-chlorophenyl)-1-piperazinyl)-1-oxopropyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H24ClN3O2
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H24ClN3O2/c23-18-2-1-3-19(15-18)26-12-10-25(11-13-26)9-8-21(27)17-4-6-20-16(14-17)5-7-22(28)24-20/h1-4,6,14-15H,5,7-13H2,(H,24,28)
InChIKey
VXVSAOUNYKSFFK-UHFFFAOYSA-N
Compound name
6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

397.1557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.162976 196.3
[M+Na]+ 420.144918 200.6
[M-H]- 396.148424 199.3
[M+NH4]+ 415.189523 203.2
[M+K]+ 436.118858 192.3
[M+H-H2O]+ 380.152960 184.2
[M+HCOO]- 442.153901 201.0
[M+CH3COO]- 456.169551 202.1
[M+Na-2H]- 418.130366 195.5
[M]+ 397.15515142 191.0
[M]- 397.15624858 191.0
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