CID 9892540

Opc-14523 free base

Structural Information

Molecular Formula
C23H28ClN3O2
SMILES
COC1=CC=CC2=C1CCC(=O)N2CCCN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H28ClN3O2/c1-29-22-8-3-7-21-20(22)9-10-23(28)27(21)12-4-11-25-13-15-26(16-14-25)19-6-2-5-18(24)17-19/h2-3,5-8,17H,4,9-16H2,1H3
InChIKey
TZZGTNZBLPCBIS-UHFFFAOYSA-N
Compound name
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

192
Patents

413.187 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19428 203.4
[M+Na]+ 436.17622 208.6
[M-H]- 412.17972 207.6
[M+NH4]+ 431.22082 210.7
[M+K]+ 452.15016 200.9
[M+H-H2O]+ 396.18426 190.4
[M+HCOO]- 458.18520 209.8
[M+CH3COO]- 472.20085 209.7
[M+Na-2H]- 434.16167 202.5
[M]+ 413.18645 201.7
[M]- 413.18755 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe