CID 55692

Brn 1401137

Structural Information

Molecular Formula
C23H25NO2
SMILES
C1CN2CCC1C(C2)OC(=O)C3C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C23H25NO2/c25-23(26-21-15-24-13-11-18(21)12-14-24)22-19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)22/h1-8,18,21-22H,9-15H2
InChIKey
DYANBEYXYZKCOS-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.18854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 173.1
[M+Na]+ 370.17776 183.9
[M+NH4]+ 365.22236 183.3
[M+K]+ 386.15170 176.5
[M-H]- 346.18126 174.7
[M+Na-2H]- 368.16321 173.3
[M]+ 347.18799 175.2
[M]- 347.18909 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.