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 202.8
[M+Na]+ 436.17622 210.0
[M-H]- 412.17972 206.7
[M+NH4]+ 431.22082 212.0
[M+K]+ 452.15016 201.4
[M+H-H2O]+ 396.18426 190.9
[M+HCOO]- 458.18520 208.2
[M+CH3COO]- 472.20085 209.4
[M+Na-2H]- 434.16167 202.0
[M]+ 413.18645 199.6
[M]- 413.18755 199.6
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.