CID 3067098

80834-71-5

Structural Information

Molecular Formula
C24H28N2O2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCC(=O)C3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C24H28N2O2/c27-23(21-6-8-22-20(17-21)7-9-24(28)25-22)12-15-26-13-10-19(11-14-26)16-18-4-2-1-3-5-18/h1-6,8,17,19H,7,9-16H2,(H,25,28)
InChIKey
UIBOYRKYRKEUFU-UHFFFAOYSA-N
Compound name
6-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

376.2151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22238 193.9
[M+Na]+ 399.20432 195.7
[M-H]- 375.20782 197.8
[M+NH4]+ 394.24892 201.9
[M+K]+ 415.17826 188.4
[M+H-H2O]+ 359.21236 181.9
[M+HCOO]- 421.21330 203.9
[M+CH3COO]- 435.22895 199.8
[M+Na-2H]- 397.18977 193.2
[M]+ 376.21455 186.0
[M]- 376.21565 186.0
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