CID 209439

19869-65-9

Structural Information

Molecular Formula
C22H36N2O
SMILES
C[N+]1(CCOCC1)CCC[N+]23CCC(CC2)C(C3)CC4=CC=CC=C4
InChI
InChI=1S/C22H36N2O/c1-23(14-16-25-17-15-23)10-5-11-24-12-8-21(9-13-24)22(19-24)18-20-6-3-2-4-7-20/h2-4,6-7,21-22H,5,8-19H2,1H3/q+2
InChIKey
GHCFZCHILYAYDD-UHFFFAOYSA-N
Compound name
4-[3-(3-benzyl-1-azoniabicyclo[2.2.2]octan-1-yl)propyl]-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.28278 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29006 180.1
[M+Na]+ 367.27200 179.2
[M-H]- 343.27550 178.9
[M+NH4]+ 362.31660 195.7
[M+K]+ 383.24594 164.7
[M+H-H2O]+ 327.28004 172.3
[M+HCOO]- 389.28098 181.9
[M+CH3COO]- 403.29663 203.6
[M+Na-2H]- 365.25745 191.4
[M]+ 344.28223 174.2
[M]- 344.28333 174.2
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

No patent data available for this compound.