CID 3060992

1-methyl-5-(3-(4-benzyl-1-piperidyl)propoxy)-3,4-dihydrocarbostyril monohydrochloride

Structural Information

Molecular Formula
C25H32N2O2
SMILES
CN1C(=O)CCC2=C1C=CC=C2OCCCN3CCC(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C25H32N2O2/c1-26-23-9-5-10-24(22(23)11-12-25(26)28)29-18-6-15-27-16-13-21(14-17-27)19-20-7-3-2-4-8-20/h2-5,7-10,21H,6,11-19H2,1H3
InChIKey
WPDWZOVFEUABEB-UHFFFAOYSA-N
Compound name
5-[3-(4-benzylpiperidin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

392.24637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.25365 201.2
[M+Na]+ 415.23559 215.3
[M+NH4]+ 410.28019 209.1
[M+K]+ 431.20953 205.1
[M-H]- 391.23909 207.3
[M+Na-2H]- 413.22104 208.1
[M]+ 392.24582 205.0
[M]- 392.24692 205.0
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