CID 3060997

1-ethyl-5-(2-hydroxy-3-(4-benzyl-1-piperidyl)propoxy)-3,4-dihydrocarbostyril monooxalate

Structural Information

Molecular Formula
C26H34N2O3
SMILES
CCN1C(=O)CCC2=C1C=CC=C2OCC(CN3CCC(CC3)CC4=CC=CC=C4)O
InChI
InChI=1S/C26H34N2O3/c1-2-28-24-9-6-10-25(23(24)11-12-26(28)30)31-19-22(29)18-27-15-13-21(14-16-27)17-20-7-4-3-5-8-20/h3-10,21-22,29H,2,11-19H2,1H3
InChIKey
HTDQENYSJWXFDB-UHFFFAOYSA-N
Compound name
5-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.25696 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.26424 206.9
[M+Na]+ 445.24618 208.2
[M-H]- 421.24968 210.7
[M+NH4]+ 440.29078 213.2
[M+K]+ 461.22012 201.9
[M+H-H2O]+ 405.25422 194.5
[M+HCOO]- 467.25516 216.1
[M+CH3COO]- 481.27081 227.0
[M+Na-2H]- 443.23163 204.5
[M]+ 422.25641 202.1
[M]- 422.25751 202.1
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