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

2
Patents

438.23074 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.23802 210.6
[M+Na]+ 461.21996 214.1
[M-H]- 437.22346 217.9
[M+NH4]+ 456.26456 215.7
[M+K]+ 477.19390 205.0
[M+H-H2O]+ 421.22800 196.3
[M+HCOO]- 483.22894 223.3
[M+CH3COO]- 497.24459 216.2
[M+Na-2H]- 459.20541 211.7
[M]+ 438.23019 205.7
[M]- 438.23129 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