CID 3067079

6-(1-hydroxy-4-(4-(3-chlorophenyl)-1-piperazinyl)butyl)-3,4-dihydrocarbostyril

Structural Information

Molecular Formula
C23H28ClN3O2
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C(CCCN3CCN(CC3)C4=CC(=CC=C4)Cl)O
InChI
InChI=1S/C23H28ClN3O2/c24-19-3-1-4-20(16-19)27-13-11-26(12-14-27)10-2-5-22(28)18-6-8-21-17(15-18)7-9-23(29)25-21/h1,3-4,6,8,15-16,22,28H,2,5,7,9-14H2,(H,25,29)
InChIKey
GOKCVODNFKBBAQ-UHFFFAOYSA-N
Compound name
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]-1-hydroxybutyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

413.187 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19428 200.8
[M+Na]+ 436.17622 204.0
[M-H]- 412.17972 202.3
[M+NH4]+ 431.22082 206.5
[M+K]+ 452.15016 195.3
[M+H-H2O]+ 396.18426 189.0
[M+HCOO]- 458.18520 203.5
[M+CH3COO]- 472.20085 205.6
[M+Na-2H]- 434.16167 199.2
[M]+ 413.18645 194.9
[M]- 413.18755 194.9
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