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

3
Patents

378.23074 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 194.9
[M+Na]+ 401.21996 196.8
[M-H]- 377.22346 198.7
[M+NH4]+ 396.26456 203.0
[M+K]+ 417.19390 189.5
[M+H-H2O]+ 361.22800 182.6
[M+HCOO]- 423.22894 205.8
[M+CH3COO]- 437.24459 200.8
[M+Na-2H]- 399.20541 195.3
[M]+ 378.23019 188.3
[M]- 378.23129 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