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]+ 320.200876 170.0
[M+Na]+ 342.182818 173.4
[M-H]- 318.186324 171.6
[M+NH4]+ 337.227423 187.9
[M+K]+ 358.156758 168.6
[M+H-H2O]+ 302.190860 163.6
[M+HCOO]- 364.191801 176.7
[M+CH3COO]- 378.207451 177.5
[M+Na-2H]- 340.168266 179.1
[M]+ 319.19305142 166.5
[M]- 319.19414858 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