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

1
Patents

392.24637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.25365 200.5
[M+Na]+ 415.23559 203.2
[M-H]- 391.23909 205.8
[M+NH4]+ 410.28019 208.9
[M+K]+ 431.20953 196.5
[M+H-H2O]+ 375.24363 187.7
[M+HCOO]- 437.24457 212.3
[M+CH3COO]- 451.26022 206.9
[M+Na-2H]- 413.22104 199.8
[M]+ 392.24582 196.2
[M]- 392.24692 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