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]+ 320.209456 175.8
[M+Na]+ 342.191398 180.1
[M-H]- 318.194904 178.6
[M+NH4]+ 337.236003 193.0
[M+K]+ 358.165338 170.4
[M+H-H2O]+ 302.199440 171.4
[M+HCOO]- 364.200381 190.8
[M+CH3COO]- 378.216031 200.5
[M+Na-2H]- 340.176846 180.0
[M]+ 319.20163142 172.7
[M]- 319.20272858 172.7
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.