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 175.8
[M+Na]+ 342.19140 180.1
[M-H]- 318.19490 178.6
[M+NH4]+ 337.23600 193.0
[M+K]+ 358.16534 170.4
[M+H-H2O]+ 302.19944 171.4
[M+HCOO]- 364.20038 190.8
[M+CH3COO]- 378.21603 200.5
[M+Na-2H]- 340.17685 180.0
[M]+ 319.20163 172.7
[M]- 319.20273 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.