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 194.7
[M+Na]+ 403.19922 197.6
[M-H]- 379.20272 197.9
[M+NH4]+ 398.24382 204.1
[M+K]+ 419.17316 190.9
[M+H-H2O]+ 363.20726 183.0
[M+HCOO]- 425.20820 204.6
[M+CH3COO]- 439.22385 200.7
[M+Na-2H]- 401.18467 196.4
[M]+ 380.20945 187.9
[M]- 380.21055 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