CID 3025124

1-(2-(bis(p-methoxyphenyl)amino)ethyl)-1-methyl-piperidinium bromide

Structural Information

Molecular Formula
C22H31N2O2
SMILES
C[N+]1(CCCCC1)CCN(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H31N2O2/c1-24(16-5-4-6-17-24)18-15-23(19-7-11-21(25-2)12-8-19)20-9-13-22(26-3)14-10-20/h7-14H,4-6,15-18H2,1-3H3/q+1
InChIKey
KRDOWENUMRFDOB-UHFFFAOYSA-N
Compound name
4-methoxy-N-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.23856 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.24584 189.7
[M+Na]+ 378.22778 192.3
[M-H]- 354.23128 197.9
[M+NH4]+ 373.27238 202.4
[M+K]+ 394.20172 183.4
[M+H-H2O]+ 338.23582 181.2
[M+HCOO]- 400.23676 208.2
[M+CH3COO]- 414.25241 212.8
[M+Na-2H]- 376.21323 194.2
[M]+ 355.23801 187.5
[M]- 355.23911 187.5
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

No patent data available for this compound.