CID 3061017

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

Structural Information

Molecular Formula
C25H30N2O3
SMILES
CC(=O)C1(CCN(CC1)CCCOC2=CC3=C(CCC(=O)N3)C=C2)C4=CC=CC=C4
InChI
InChI=1S/C25H30N2O3/c1-19(28)25(21-6-3-2-4-7-21)12-15-27(16-13-25)14-5-17-30-22-10-8-20-9-11-24(29)26-23(20)18-22/h2-4,6-8,10,18H,5,9,11-17H2,1H3,(H,26,29)
InChIKey
KZNFNFJBVRWYRD-UHFFFAOYSA-N
Compound name
7-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

406.22565 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.23293 202.7
[M+Na]+ 429.21487 215.1
[M+NH4]+ 424.25947 210.6
[M+K]+ 445.18881 204.8
[M-H]- 405.21837 207.2
[M+Na-2H]- 427.20032 209.9
[M]+ 406.22510 205.8
[M]- 406.22620 205.8
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