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 200.2
[M+Na]+ 418.22268 201.8
[M-H]- 394.22618 203.4
[M+NH4]+ 413.26728 208.7
[M+K]+ 434.19662 189.6
[M+H-H2O]+ 378.23072 191.2
[M+HCOO]- 440.23166 208.2
[M+CH3COO]- 454.24731 210.2
[M+Na-2H]- 416.20813 202.5
[M]+ 395.23291 191.4
[M]- 395.23401 191.4
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