CID 3060993

2(1h)-quinolinone, 4-methyl-7-(3-(4-(phenylmethyl)-1-piperidinyl)propoxy)-

Structural Information

Molecular Formula
C25H30N2O2
SMILES
CC1=CC(=O)NC2=C1C=CC(=C2)OCCCN3CCC(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C25H30N2O2/c1-19-16-25(28)26-24-18-22(8-9-23(19)24)29-15-5-12-27-13-10-21(11-14-27)17-20-6-3-2-4-7-20/h2-4,6-9,16,18,21H,5,10-15,17H2,1H3,(H,26,28)
InChIKey
ZVIURFHDXIMZNQ-UHFFFAOYSA-N
Compound name
7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

390.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23802 198.7
[M+Na]+ 413.21996 203.0
[M-H]- 389.22346 203.5
[M+NH4]+ 408.26456 206.8
[M+K]+ 429.19390 195.2
[M+H-H2O]+ 373.22800 186.4
[M+HCOO]- 435.22894 211.9
[M+CH3COO]- 449.24459 205.5
[M+Na-2H]- 411.20541 199.7
[M]+ 390.23019 195.6
[M]- 390.23129 195.6
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