CID 3061011

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

Structural Information

Molecular Formula
C31H36N2O3
SMILES
C1CN(CCC1CC2=CC=CC=C2)CC(COC3=CC=CC4=C3CCC(=O)N4CC5=CC=CC=C5)O
InChI
InChI=1S/C31H36N2O3/c34-27(22-32-18-16-25(17-19-32)20-24-8-3-1-4-9-24)23-36-30-13-7-12-29-28(30)14-15-31(35)33(29)21-26-10-5-2-6-11-26/h1-13,25,27,34H,14-23H2
InChIKey
OSBIUPYCASTLMN-UHFFFAOYSA-N
Compound name
1-benzyl-5-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

484.27258 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.27986 222.0
[M+Na]+ 507.26180 221.8
[M-H]- 483.26530 228.1
[M+NH4]+ 502.30640 224.7
[M+K]+ 523.23574 214.3
[M+H-H2O]+ 467.26984 207.3
[M+HCOO]- 529.27078 230.3
[M+CH3COO]- 543.28643 225.4
[M+Na-2H]- 505.24725 219.2
[M]+ 484.27203 215.7
[M]- 484.27313 215.7
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