CID 24834036

N-(4'-ethoxyphenylamine-n'-acetyl)tropinium chloride

Structural Information

Molecular Formula
C18H27N2O3
SMILES
CCOC1=CC=C(C=C1)NC(=O)C[N+]2(C3CCC2CC(C3)O)C
InChI
InChI=1S/C18H26N2O3/c1-3-23-17-8-4-13(5-9-17)19-18(22)12-20(2)14-6-7-15(20)11-16(21)10-14/h4-5,8-9,14-16,21H,3,6-7,10-12H2,1-2H3/p+1
InChIKey
JTJULQNYIYCCOR-UHFFFAOYSA-O
Compound name
N-(4-ethoxyphenyl)-2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.20218 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20946 174.4
[M+Na]+ 342.19140 185.3
[M+NH4]+ 337.23600 184.3
[M+K]+ 358.16534 179.6
[M-H]- 318.19490 177.9
[M+Na-2H]- 340.17685 178.9
[M]+ 319.20163 177.2
[M]- 319.20273 177.2
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

No patent data available for this compound.