CID 203793

Brn 1549041

Structural Information

Molecular Formula
C22H25NO
SMILES
C1CN2CCC1C(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C22H25NO/c1-3-7-19-16(5-1)9-10-17-6-2-4-8-20(17)22(19)24-21-15-23-13-11-18(21)12-14-23/h1-8,18,21-22H,9-15H2
InChIKey
ULNFHWYNUAWUSI-UHFFFAOYSA-N
Compound name
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20088 167.6
[M+Na]+ 342.18282 179.4
[M+NH4]+ 337.22742 178.8
[M+K]+ 358.15676 171.0
[M-H]- 318.18632 170.1
[M+Na-2H]- 340.16827 168.8
[M]+ 319.19305 170.2
[M]- 319.19415 170.2
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

patents stripe