CID 3061015

78484-03-4

Structural Information

Molecular Formula
C24H31N2O3
SMILES
C[N+]1(CCC(CC1)C2=CC=CC=C2)CC(COC3=CC=CC4=C3CCC(=O)N4)O
InChI
InChI=1S/C24H30N2O3/c1-26(14-12-19(13-15-26)18-6-3-2-4-7-18)16-20(27)17-29-23-9-5-8-22-21(23)10-11-24(28)25-22/h2-9,19-20,27H,10-17H2,1H3/p+1
InChIKey
LLQCSNWLMYGVCH-UHFFFAOYSA-O
Compound name
5-[2-hydroxy-3-(1-methyl-4-phenylpiperidin-1-ium-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

395.23346 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.24074 197.7
[M+Na]+ 418.22268 211.9
[M+NH4]+ 413.26728 207.1
[M+K]+ 434.19662 202.4
[M-H]- 394.22618 203.9
[M+Na-2H]- 416.20813 205.8
[M]+ 395.23291 201.9
[M]- 395.23401 201.9
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