CID 3058758

2,5(1h,6h)-quinolinedione, 7,8-dihydro-3-(2-(4-(2-chlorophenyl)-1-piperazinyl)ethyl)-7,7-dimethyl-

Structural Information

Molecular Formula
C23H28ClN3O2
SMILES
CC1(CC2=C(C=C(C(=O)N2)CCN3CCN(CC3)C4=CC=CC=C4Cl)C(=O)C1)C
InChI
InChI=1S/C23H28ClN3O2/c1-23(2)14-19-17(21(28)15-23)13-16(22(29)25-19)7-8-26-9-11-27(12-10-26)20-6-4-3-5-18(20)24/h3-6,13H,7-12,14-15H2,1-2H3,(H,25,29)
InChIKey
HRUVKINQYWMTDV-UHFFFAOYSA-N
Compound name
3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.187 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19428 201.6
[M+Na]+ 436.17622 217.0
[M+NH4]+ 431.22082 210.0
[M+K]+ 452.15016 205.7
[M-H]- 412.17972 206.3
[M+Na-2H]- 434.16167 208.9
[M]+ 413.18645 205.6
[M]- 413.18755 205.6
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

No patent data available for this compound.