CID 3061009

2(1h)-quinolinone, 4-phenyl-7-(3-(4-phenyl-1-piperidinyl)propoxy)-, monohydrochloride

Structural Information

Molecular Formula
C29H30N2O2
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCOC3=CC4=C(C=C3)C(=CC(=O)N4)C5=CC=CC=C5
InChI
InChI=1S/C29H30N2O2/c32-29-21-27(24-10-5-2-6-11-24)26-13-12-25(20-28(26)30-29)33-19-7-16-31-17-14-23(15-18-31)22-8-3-1-4-9-22/h1-6,8-13,20-21,23H,7,14-19H2,(H,30,32)
InChIKey
BBVUSLOUKXANDX-UHFFFAOYSA-N
Compound name
4-phenyl-7-[3-(4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

438.23074 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.238016 210.6
[M+Na]+ 461.219958 214.1
[M-H]- 437.223464 217.9
[M+NH4]+ 456.264563 215.7
[M+K]+ 477.193898 205.0
[M+H-H2O]+ 421.228000 196.3
[M+HCOO]- 483.228941 223.3
[M+CH3COO]- 497.244591 216.2
[M+Na-2H]- 459.205406 211.7
[M]+ 438.23019142 205.7
[M]- 438.23128858 205.7
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