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 177.3
[M+Na]+ 371.18557 178.8
[M-H]- 347.18907 176.3
[M+NH4]+ 366.23017 195.4
[M+K]+ 387.15951 167.7
[M+H-H2O]+ 331.19361 167.9
[M+HCOO]- 393.19455 180.8
[M+CH3COO]- 407.21020 183.2
[M+Na-2H]- 369.17102 187.5
[M]+ 348.19580 174.6
[M]- 348.19690 174.6
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.