CID 3025122

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

Structural Information

Molecular Formula
C24H35N2O2
SMILES
C[N+]1(CCCCC1)CCN(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C24H35N2O2/c1-26(16-5-4-6-17-26)18-15-25(19-21-7-11-23(27-2)12-8-21)20-22-9-13-24(28-3)14-10-22/h7-14H,4-6,15-20H2,1-3H3/q+1
InChIKey
UIHVMXWVDVYVKS-UHFFFAOYSA-N
Compound name
N,N-bis[(4-methoxyphenyl)methyl]-2-(1-methylpiperidin-1-ium-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.26987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.27715 198.7
[M+Na]+ 406.25909 200.4
[M-H]- 382.26259 206.4
[M+NH4]+ 401.30369 210.2
[M+K]+ 422.23303 191.0
[M+H-H2O]+ 366.26713 189.8
[M+HCOO]- 428.26807 216.4
[M+CH3COO]- 442.28372 218.6
[M+Na-2H]- 404.24454 202.1
[M]+ 383.26932 197.1
[M]- 383.27042 197.1
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.