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

5
Patents

397.1557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.16298 196.3
[M+Na]+ 420.14492 200.6
[M-H]- 396.14842 199.3
[M+NH4]+ 415.18952 203.2
[M+K]+ 436.11886 192.3
[M+H-H2O]+ 380.15296 184.2
[M+HCOO]- 442.15390 201.0
[M+CH3COO]- 456.16955 202.1
[M+Na-2H]- 418.13037 195.5
[M]+ 397.15515 191.0
[M]- 397.15625 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