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 202.6
[M+Na]+ 431.23052 204.4
[M-H]- 407.23402 206.7
[M+NH4]+ 426.27512 209.5
[M+K]+ 447.20446 198.3
[M+H-H2O]+ 391.23856 190.4
[M+HCOO]- 453.23950 212.2
[M+CH3COO]- 467.25515 208.2
[M+Na-2H]- 429.21597 200.8
[M]+ 408.24075 197.6
[M]- 408.24185 197.6
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