CID 3048018

1,1'-methyliminodiethylenebis(1-ethylpiperidinium) dibromide

Structural Information

Molecular Formula
C19H41N3
SMILES
CC[N+]1(CCCCC1)CCN(C)CC[N+]2(CCCCC2)CC
InChI
InChI=1S/C19H41N3/c1-4-21(14-8-6-9-15-21)18-12-20(3)13-19-22(5-2)16-10-7-11-17-22/h4-19H2,1-3H3/q+2
InChIKey
RDVZZNPIPKNDCQ-UHFFFAOYSA-N
Compound name
2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.33005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.33733 180.9
[M+Na]+ 334.31927 193.2
[M+NH4]+ 329.36387 193.8
[M+K]+ 350.29321 182.3
[M-H]- 310.32277 188.2
[M+Na-2H]- 332.30472 190.0
[M]+ 311.32950 185.6
[M]- 311.33060 185.6
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.