CID 3061016

2(1h)-quinolinone, 3,4-dihydro-5-(3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)-

Structural Information

Molecular Formula
C23H28N2O3
SMILES
C1CC(=O)NC2=C1C(=CC=C2)OCCCN3CCC(CC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C23H28N2O3/c26-22-11-10-19-20(24-22)8-4-9-21(19)28-17-5-14-25-15-12-23(27,13-16-25)18-6-2-1-3-7-18/h1-4,6-9,27H,5,10-17H2,(H,24,26)
InChIKey
BFEQDZNCCKMXOP-UHFFFAOYSA-N
Compound name
5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

380.21 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 196.2
[M+Na]+ 403.19922 208.9
[M+NH4]+ 398.24382 204.5
[M+K]+ 419.17316 198.4
[M-H]- 379.20272 200.8
[M+Na-2H]- 401.18467 203.7
[M]+ 380.20945 199.3
[M]- 380.21055 199.3
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