CID 210391

21228-77-3

Structural Information

Molecular Formula
C23H38N2
SMILES
C[N+]1(CCCCC1)CCC[N+]23CCC(CC2)C(C3)CC4=CC=CC=C4
InChI
InChI=1S/C23H38N2/c1-24(13-6-3-7-14-24)15-8-16-25-17-11-22(12-18-25)23(20-25)19-21-9-4-2-5-10-21/h2,4-5,9-10,22-23H,3,6-8,11-20H2,1H3/q+2
InChIKey
DMDUCWTZLPQFSQ-UHFFFAOYSA-N
Compound name
3-benzyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-1-azoniabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.3035 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.31078 183.8
[M+Na]+ 365.29272 182.5
[M-H]- 341.29622 181.8
[M+NH4]+ 360.33732 200.8
[M+K]+ 381.26666 165.9
[M+H-H2O]+ 325.30076 175.9
[M+HCOO]- 387.30170 186.0
[M+CH3COO]- 401.31735 204.5
[M+Na-2H]- 363.27817 193.6
[M]+ 342.30295 176.2
[M]- 342.30405 176.2
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.