CID 24834034

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

Structural Information

Molecular Formula
C19H27N2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2(C3CCC2CC(C3)O)C
InChI
InChI=1S/C19H26N2O4/c1-3-25-19(24)13-4-6-14(7-5-13)20-18(23)12-21(2)15-8-9-16(21)11-17(22)10-15/h4-7,15-17,22H,3,8-12H2,1-2H3/p+1
InChIKey
ZYRGUAGOLNYKLQ-UHFFFAOYSA-O
Compound name
ethyl 4-[[2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.19708 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.20436 180.7
[M+Na]+ 370.18630 190.5
[M+NH4]+ 365.23090 189.3
[M+K]+ 386.16024 185.9
[M-H]- 346.18980 183.1
[M+Na-2H]- 368.17175 184.1
[M]+ 347.19653 182.8
[M]- 347.19763 182.8
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.