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

8
Patents

380.21 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.217276 194.7
[M+Na]+ 403.199218 197.6
[M-H]- 379.202724 197.9
[M+NH4]+ 398.243823 204.1
[M+K]+ 419.173158 190.9
[M+H-H2O]+ 363.207260 183.0
[M+HCOO]- 425.208201 204.6
[M+CH3COO]- 439.223851 200.7
[M+Na-2H]- 401.184666 196.4
[M]+ 380.20945142 187.9
[M]- 380.21054858 187.9
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