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

5
Patents

408.2413 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.248576 202.6
[M+Na]+ 431.230518 204.4
[M-H]- 407.234024 206.7
[M+NH4]+ 426.275123 209.5
[M+K]+ 447.204458 198.3
[M+H-H2O]+ 391.238560 190.4
[M+HCOO]- 453.239501 212.2
[M+CH3COO]- 467.255151 208.2
[M+Na-2H]- 429.215966 200.8
[M]+ 408.24075142 197.6
[M]- 408.24184858 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