CID 3061013

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

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CN1C(=O)CCC2=C1C=CC=C2OCC(CN3CCC(CC3)CC4=CC=CC=C4)O
InChI
InChI=1S/C25H32N2O3/c1-26-23-8-5-9-24(22(23)10-11-25(26)29)30-18-21(28)17-27-14-12-20(13-15-27)16-19-6-3-2-4-7-19/h2-9,20-21,28H,10-18H2,1H3
InChIKey
MHNCZMBGYKUZRC-UHFFFAOYSA-N
Compound name
5-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-1-methyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

408.2413 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.24858 203.5
[M+Na]+ 431.23052 216.2
[M+NH4]+ 426.27512 210.3
[M+K]+ 447.20446 207.8
[M-H]- 407.23402 208.5
[M+Na-2H]- 429.21597 209.1
[M]+ 408.24075 206.6
[M]- 408.24185 206.6
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