CID 3060988

1-methyl-7-(3-(4-benzyl-1-piperidyl)propoxy)-3,4-dihydrocarbostyril monooxalate

Structural Information

Molecular Formula
C25H32N2O2
SMILES
CN1C(=O)CCC2=C1C=C(C=C2)OCCCN3CCC(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C25H32N2O2/c1-26-24-19-23(10-8-22(24)9-11-25(26)28)29-17-5-14-27-15-12-21(13-16-27)18-20-6-3-2-4-7-20/h2-4,6-8,10,19,21H,5,9,11-18H2,1H3
InChIKey
SBZLIAXICBCOFO-UHFFFAOYSA-N
Compound name
7-[3-(4-benzylpiperidin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

392.24637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.253646 200.5
[M+Na]+ 415.235588 203.2
[M-H]- 391.239094 205.8
[M+NH4]+ 410.280193 208.9
[M+K]+ 431.209528 196.5
[M+H-H2O]+ 375.243630 187.7
[M+HCOO]- 437.244571 212.3
[M+CH3COO]- 451.260221 206.9
[M+Na-2H]- 413.221036 199.8
[M]+ 392.24582142 196.2
[M]- 392.24691858 196.2
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