CID 207087

29125-66-4

Structural Information

Molecular Formula
C23H26NO2
SMILES
C[N+]12CCC(CC1)C(C2)OC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35
InChI
InChI=1S/C23H26NO2/c1-24-12-10-16(11-13-24)21(15-24)26-23(25)22-19-8-4-2-6-17(19)14-18-7-3-5-9-20(18)22/h2-9,16,21-22H,10-15H2,1H3/q+1
InChIKey
JJDDUVZLIGVOJW-UHFFFAOYSA-N
Compound name
(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9,10-dihydroanthracene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.19635 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20363 179.9
[M+Na]+ 371.18557 195.1
[M+NH4]+ 366.23017 194.0
[M+K]+ 387.15951 183.7
[M-H]- 347.18907 183.7
[M+Na-2H]- 369.17102 182.0
[M]+ 348.19580 183.9
[M]- 348.19690 183.9
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.