CID 24842952

102207-40-9

Structural Information

Molecular Formula
C22H38N2
SMILES
CC[N+]1(CCCCC1)CC2=CC=C(C=C2)C[N+]3(CCCCC3)CC
InChI
InChI=1S/C22H38N2/c1-3-23(15-7-5-8-16-23)19-21-11-13-22(14-12-21)20-24(4-2)17-9-6-10-18-24/h11-14H,3-10,15-20H2,1-2H3/q+2
InChIKey
QFJISXFMRBDDKL-UHFFFAOYSA-N
Compound name
1-ethyl-1-[[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.3035 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.31078 186.2
[M+Na]+ 353.29272 202.3
[M+NH4]+ 348.33732 200.1
[M+K]+ 369.26666 189.4
[M-H]- 329.29622 195.7
[M+Na-2H]- 351.27817 198.2
[M]+ 330.30295 192.4
[M]- 330.30405 192.4
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.