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 170.0
[M+Na]+ 342.18282 173.4
[M-H]- 318.18632 171.6
[M+NH4]+ 337.22742 187.9
[M+K]+ 358.15676 168.6
[M+H-H2O]+ 302.19086 163.6
[M+HCOO]- 364.19180 176.7
[M+CH3COO]- 378.20745 177.5
[M+Na-2H]- 340.16827 179.1
[M]+ 319.19305 166.5
[M]- 319.19415 166.5
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