CID 3060986

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

Structural Information

Molecular Formula
C24H30N2O2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC=CC4=C3CCC(=O)N4
InChI
InChI=1S/C24H30N2O2/c27-24-11-10-21-22(25-24)8-4-9-23(21)28-17-5-14-26-15-12-20(13-16-26)18-19-6-2-1-3-7-19/h1-4,6-9,20H,5,10-18H2,(H,25,27)
InChIKey
ZSHZOONYRBYGNV-UHFFFAOYSA-N
Compound name
5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

378.23074 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.238016 194.9
[M+Na]+ 401.219958 196.8
[M-H]- 377.223464 198.7
[M+NH4]+ 396.264563 203.0
[M+K]+ 417.193898 189.5
[M+H-H2O]+ 361.228000 182.6
[M+HCOO]- 423.228941 205.8
[M+CH3COO]- 437.244591 200.8
[M+Na-2H]- 399.205406 195.3
[M]+ 378.23019142 188.3
[M]- 378.23128858 188.3
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